2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol

C13H22N4OS — CID 102640099

IUPAC2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(N(C)C2CCCCC2O)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-6-4-5-7-10(9)18/h8-10,18H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyGKJAYCPRGDRLMH-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.98
Rot. Bonds4

About 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol

2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 102640099) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID102640099
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1cc(N(C)C2CCCCC2O)nc(SC)n1
InChIInChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-6-4-5-7-10(9)18/h8-10,18H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyGKJAYCPRGDRLMH-UHFFFAOYSA-N
XLogP1.98
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol 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-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80799509
4-N-cyclopropyl-6-N-ethyl-4-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80775647
2-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640092
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640233
4-N-cyclobutyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826920
2-[methyl-[5-(methylamino)-3-pyridinyl]amino]cyclohexan-1-ol
CID 102640159
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640144
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]-methylamino]cyclohexan-1-ol
CID 102640212
6-hydrazinyl-N-methyl-N-(3-methylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80895958
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
2-[(6-amino-2-tert-butylpyrimidin-4-yl)-methylamino]cyclohexan-1-ol
CID 102640178

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 102640099) is 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1cc(N(C)C2CCCCC2O)nc(SC)n1.
What is the InChIKey of 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is GKJAYCPRGDRLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-14-11-8-12(16-13(15-11)19-3)17(2)9-6-4-5-7-10(9)18/h8-10,18H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 282.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102640099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).