[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol

C16H27N3O2 — CID 115974963

IUPAC[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCc1cc(OC(C)C)nc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)21-14-9-13(4)17-15(18-14)19-16(10-20)7-5-12(3)6-8-16/h9,11-12,20H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeySFZORCDESZEMLI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds5

About [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol

[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 115974963) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID115974963
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCc1cc(OC(C)C)nc(NC2(CO)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-11(2)21-14-9-13(4)17-15(18-14)19-16(10-20)7-5-12(3)6-8-16/h9,11-12,20H,5-8,10H2,1-4H3,(H,17,18,19)
InChIKeySFZORCDESZEMLI-UHFFFAOYSA-N
XLogP2.93
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112635634
[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
[1-[(4,6-dimethylpyrimidin-2-yl)amino]cyclobutyl]methanol
CID 115774262
[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974965
4-methyl-N-(4-methylpiperidin-4-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 114697237
[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]oxan-4-yl]methanol
CID 106300257
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
methyl 4-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-6-methylpyrimidine-2-carboxylate
CID 66285460
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
[1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4-methylcyclohexyl]methanol
CID 80832899

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol (CID 115974963) is [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol is Cc1cc(OC(C)C)nc(NC2(CO)CCC(C)CC2)n1.
What is the InChIKey of [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is SFZORCDESZEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)21-14-9-13(4)17-15(18-14)19-16(10-20)7-5-12(3)6-8-16/h9,11-12,20H,5-8,10H2,1-4H3,(H,17,18,19).
What are the key properties of [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 115974963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).