84923-24-0
2-AMINO-N-(8-(CYCLOHEXYLMETHYL)-3-BETA-NORTROPANYL)-4-METHOXY-5-PYRIMI DINECARBOXAMIDE
Name2-AMINO-N-(8-(CYCLOHEXYLMETHYL)-3-BETA-NORTROPANYL)-4-METHOXY-5-PYRIMI DINECARBOXAMIDE
1Identification
【Name】
2-AMINO-N-(8-(CYCLOHEXYLMETHYL)-3-BETA-NORTROPANYL)-4-METHOXY-5-PYRIMI DINECARBOXAMIDE
【CAS】
【MDL】
MFCD01689771
【English Synonyms】
【Formula】
C20 H31 N5 O2
【MolWeight】
373.498
【Inchi】
InChI=1S/C20H31N5O2/c1-27-19-17(11-22-20(21)24-19)18(26)23-14-9-15-7-8-16(10-14)25(15)12-13-5-3-2-4-6-13/h11,13-16H,2-10,12H2,1H3,(H,23,26)(H2,21,22,24)/t14-,15-,16+
【InChIKey】
InChIKey=MEBIAQIVZIDVQW-PHZGNYQRSA-N
【SMILES】
COc1c(cnc(n1)N)C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3CC4CCCCC4
【MOL File】
2-AMINO-N-(8-(CYCLOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-N-(8-(CYCLOHEXYLMETHYL)-3-BETA-NORTROPANYL)-4-METHOXY-5-PYRIMI DINECARBOXAMIDE.cml