4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C16H21N5O — CID 72793046

IUPAC4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C16H21N5O/c1-17-16-19-10-13(14-4-2-3-9-18-14)15(21-16)20-11-5-7-12(22)8-6-11/h2-4,9-12,22H,5-8H2,1H3,(H2,17,19,20,21)
InChIKeyJUUYWFQCWXBEPH-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.30
Rot. Bonds4

About 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793046) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793046
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C16H21N5O/c1-17-16-19-10-13(14-4-2-3-9-18-14)15(21-16)20-11-5-7-12(22)8-6-11/h2-4,9-12,22H,5-8H2,1H3,(H2,17,19,20,21)
InChIKeyJUUYWFQCWXBEPH-UHFFFAOYSA-N
XLogP2.30
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol 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 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793046) is 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is CNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is JUUYWFQCWXBEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-17-16-19-10-13(14-4-2-3-9-18-14)15(21-16)20-11-5-7-12(22)8-6-11/h2-4,9-12,22H,5-8H2,1H3,(H2,17,19,20,21).
What are the key properties of 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 299.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).