863028-99-3
4-(CYCLOHEXYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID
Name
4-(CYCLOHEXYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID
Formula
C12 H17 N3 O2 S
MolWeight
267.351
1Identification
【Name】
4-(CYCLOHEXYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11573847
【English Synonyms】
【Formula】
C12 H17 N3 O2 S
【MolWeight】
267.351
【Inchi】
InChI=1S/C12H17N3O2S/c1-18-12-13-7-9(11(16)17)10(15-12)14-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,16,17)(H,13,14,15)
【InChIKey】
InChIKey=SMIOPIRDNQRILL-UHFFFAOYSA-N
【SMILES】
CSc1ncc(c(n1)NC2CCCCC2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(CYCLOHEXYLAMINO)-2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLIC ACID.cml
Quick Release
([5-(2,3-DICHLOROPHENOXYMETHYL)-1,2-OXAZOL-3-YL]METHYL)(METHYL)AMINE
[5-(2,3-DICHLOROPHENOXYMETHYL)-3-METHYLFURAN-2-YL]METHANAMINE
[5-(2,3-DICHLOROPHENOXYMETHYL)OXOLAN-2-YL]METHANAMINE
[4-(2,3-DICHLOROPHENOXY)PENTYL](ETHYL)AMINE
TERT-BUTYL[4-(2,3-DICHLOROPHENOXY)PENTYL]AMINE
[5-(2,3-DICHLOROPHENOXY)PENTYL](PROPAN-2-YL)AMINE
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