4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide

C12H18N4OS — CID 86065477

IUPAC4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(NC2CCCCC2)n1
InChIInChI=1S/C12H18N4OS/c1-18-12-14-7-9(10(13)17)11(16-12)15-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyJVPBURAVUCETLI-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.04
Rot. Bonds4

About 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide

4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 86065477) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID86065477
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(N)=O)c(NC2CCCCC2)n1
InChIInChI=1S/C12H18N4OS/c1-18-12-14-7-9(10(13)17)11(16-12)15-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15,16)
InChIKeyJVPBURAVUCETLI-UHFFFAOYSA-N
XLogP2.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 71237996
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
4-(cyclopentylamino)-N-methoxy-N-methyl-2-methylsulfanylpyrimidine-5-carboxamide
CID 155572408
cyclopentanamine;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 159398317
2-(2-aminopropylamino)-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 70981953
2-(cyclohexylamino)-4-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 71242271
5-(2-aminoethyl)-N-cyclopentyl-2-methylsulfanylpyrimidin-4-amine
CID 170869062
4-[[(1S,2S)-2-hydroxycyclopentyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 71237155
1-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]ethanone;6-(cyclopentylamino)-2-sulfanylidene-1H-pyrimidine-5-carbaldehyde;deuterium monohydride;methane
CID 159936604
1-[4-(cyclopentylamino)-2-methylsulfanylpyrimidin-5-yl]-2,2,2-trifluoroethanol
CID 11426779
4-N,6-N-dicyclopentyl-5-iodo-2-methylsulfanylpyrimidine-4,6-diamine
CID 15603071
[4-[4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboximidoyl]-3,6-dihydro-2H-pyridin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 153365750

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide (CID 86065477) is 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(N)=O)c(NC2CCCCC2)n1.
What is the InChIKey of 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is JVPBURAVUCETLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-18-12-14-7-9(10(13)17)11(16-12)15-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H2,13,17)(H,14,15,16).
What are the key properties of 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide?
4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 86065477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).