91021-70-4
2-(3-AMINO-PROPYLAMINO)-6-((1R,2R)-1,2,3-TRIHYDROXY-PROPYL)-8H-PTERIDIN-4-ONE
Name
2-(3-AMINO-PROPYLAMINO)-6-((1R,2R)-1,2,3-TRIHYDROXY-PROPYL)-8H-PTERIDIN-4-ONE
Formula
C12 H18 N6 O4
MolWeight
310.312
1Identification
【Name】
2-(3-AMINO-PROPYLAMINO)-6-((1R,2R)-1,2,3-TRIHYDROXY-PROPYL)-8H-PTERIDIN-4-ONE
【CAS】
【MDL】
MFCD17170402
【English Synonyms】
【Formula】
C12 H18 N6 O4
【MolWeight】
310.312
【Inchi】
InChI=1S/C12H18N6O4/c13-2-1-3-14-12-17-10-8(11(22)18-12)16-6(4-15-10)9(21)7(20)5-19/h4,7,9,19-21H,1-3,5,13H2,(H2,14,15,17,18,22)/t7-,9-/m1/s1
【InChIKey】
InChIKey=SWMRPVICCRIQNZ-VXNVDRBHSA-N
【SMILES】
c1c(nc-2c(=O)nc(nc2[nH]1)NCCCN)[C@H]([C@@H](CO)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:10
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(3-AMINO-PROPYLAMINO)-6-((1R,2R)-1,2,3-TRIHYDROXY-PROPYL)-8H-PTERIDIN-4-ONE.cml
Quick Release
([1-(6-METHYLPYRIDIN-2-YL)PIPERIDIN-2-YL]METHYL)(PROPYL)AMINE
([1-(3-METHYLPYRIDIN-2-YL)PIPERIDIN-2-YL]METHYL)(PROPAN-2-YL)AMINE
(PROPAN-2-YL)(([1-(PYRIMIDIN-2-YL)PIPERIDIN-2-YL]METHYL))AMINE
SELENA SEL10701645
([1-(3,6-DIMETHYLPYRAZIN-2-YL)PIPERIDIN-2-YL]METHYL)(PROPAN-2-YL)AMINE
(PROPAN-2-YL)(([1-(PYRIDAZIN-3-YL)PIPERIDIN-2-YL]METHYL))AMINE
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SELENA SEL10701645
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