[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol

C16H26N4O — CID 80958535

IUPAC[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
SMILESCNc1cc(NC2(CO)CCCC(C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-11-4-3-7-16(9-11,10-21)20-14-8-13(17-2)18-15(19-14)12-5-6-12/h8,11-12,21H,3-7,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeySZAWHGZCWQURAU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.75
Rot. Bonds5

About [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol

[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol (PubChem CID 80958535) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
PubChem CID80958535
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
SMILESCNc1cc(NC2(CO)CCCC(C)C2)nc(C2CC2)n1
InChIInChI=1S/C16H26N4O/c1-11-4-3-7-16(9-11,10-21)20-14-8-13(17-2)18-15(19-14)12-5-6-12/h8,11-12,21H,3-7,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeySZAWHGZCWQURAU-UHFFFAOYSA-N
XLogP2.75
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol (CID 80958535) is [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol is CNc1cc(NC2(CO)CCCC(C)C2)nc(C2CC2)n1.
What is the InChIKey of [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
The InChIKey is SZAWHGZCWQURAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-4-3-7-16(9-11,10-21)20-14-8-13(17-2)18-15(19-14)12-5-6-12/h8,11-12,21H,3-7,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol?
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol has a molecular weight of 290.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 80958535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).