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

C12H19N3OS — CID 106972880

IUPAC2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1cc(NCC2CCCCC2O)ncn1
InChIInChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-4-2-3-5-10(9)16/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRRPLZTBBKWJBJH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

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

2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106972880) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106972880
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1cc(NCC2CCCCC2O)ncn1
InChIInChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-4-2-3-5-10(9)16/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyRRPLZTBBKWJBJH-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106130861
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
trans-(1R,2R)-2-N-(6-methylsulfanylpyrimidin-4-yl)cyclohexane-1,2-diamine
CID 106973341
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
N-(2,6-dimethylpiperidin-1-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106972968
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
2,2-dimethyl-3-[(6-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 106277817
1-N-(6-methylsulfanylpyrimidin-4-yl)propane-1,2-diamine
CID 106973229

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106972880) is 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CSc1cc(NCC2CCCCC2O)ncn1.
What is the InChIKey of 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is RRPLZTBBKWJBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-4-2-3-5-10(9)16/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106972880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).