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

C15H25N3O2 — CID 115974965

IUPAC[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccc(OC(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-13-6-8-16-14(17-13)18-15(10-19)7-4-5-12(3)9-15/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyCAWZWJXCWLOEJH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.62
Rot. Bonds5

About [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol

[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 115974965) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID115974965
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2nccc(OC(C)C)n2)C1
InChIInChI=1S/C15H25N3O2/c1-11(2)20-13-6-8-16-14(17-13)18-15(10-19)7-4-5-12(3)9-15/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyCAWZWJXCWLOEJH-UHFFFAOYSA-N
XLogP2.62
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 112637527
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
[3-methyl-1-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 63208586
1-[(4-ethoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 115974051
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
[4-methyl-1-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 115974963
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115974164
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
[1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylcyclohexyl]methanol
CID 62858736
[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
CID 62526536

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol (CID 115974965) is [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol is CC1CCCC(CO)(Nc2nccc(OC(C)C)n2)C1.
What is the InChIKey of [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is CAWZWJXCWLOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)20-13-6-8-16-14(17-13)18-15(10-19)7-4-5-12(3)9-15/h6,8,11-12,19H,4-5,7,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol?
[3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 279.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 115974965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).