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

C12H19N3OS — CID 106130861

IUPAC4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1cc(NCC2CCC(O)CC2)ncn1
InChIInChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-2-4-10(16)5-3-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyULJSSEGJFNKKIM-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.16
Rot. Bonds4

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

4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130861) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106130861
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCSc1cc(NCC2CCC(O)CC2)ncn1
InChIInChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-2-4-10(16)5-3-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyULJSSEGJFNKKIM-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

Analyze 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
N-[(4-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106125796
2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106972880
4-[[(6-bromopyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106137378
3-[[[6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137975
N-[(2-chlorocyclohexyl)methyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973738
N-(2,2-dicyclopropylethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972899
N-cyclopentyl-6-methylsulfanylpyrimidin-4-amine
CID 106972534
N-(2-methylpropyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972533
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
3-[[(6-ethoxypyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 66331001
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106130861) is 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is CSc1cc(NCC2CCC(O)CC2)ncn1.
What is the InChIKey of 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ULJSSEGJFNKKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-17-12-6-11(14-8-15-12)13-7-9-2-4-10(16)5-3-9/h6,8-10,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(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 4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).