[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

C14H23ClN4O — CID 106368316

IUPAC[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCCNc1ncc(Cl)c(NC2CCCCC2CO)n1
InChIInChI=1S/C14H23ClN4O/c1-2-7-16-14-17-8-11(15)13(19-14)18-12-6-4-3-5-10(12)9-20/h8,10,12,20H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyHTSJHSUYUJZCFJ-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.91
Rot. Bonds6

About [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol

[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (PubChem CID 106368316) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
PubChem CID106368316
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
SMILESCCCNc1ncc(Cl)c(NC2CCCCC2CO)n1
InChIInChI=1S/C14H23ClN4O/c1-2-7-16-14-17-8-11(15)13(19-14)18-12-6-4-3-5-10(12)9-20/h8,10,12,20H,2-7,9H2,1H3,(H2,16,17,18,19)
InChIKeyHTSJHSUYUJZCFJ-UHFFFAOYSA-N
XLogP2.91
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
5-chloro-4-N-cycloheptyl-2-N-propylpyrimidine-2,4-diamine
CID 80772251
5-chloro-4-N-(1,3-dimethylpiperidin-4-yl)-2-N-propylpyrimidine-2,4-diamine
CID 114506528
5-chloro-4-N-(3-ethylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841619
5-chloro-4-N-(3,4-dimethylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80841109
[2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368007
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
5-chloro-4-N-(1-methylpyrrolidin-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804147
5-methyl-4-N-(2-methylcycloheptyl)-2-N-propylpyrimidine-2,4-diamine
CID 80847547
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80822321
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368088

Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The IUPAC name of [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol (CID 106368316) is [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is CCCNc1ncc(Cl)c(NC2CCCCC2CO)n1.
What is the InChIKey of [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
The InChIKey is HTSJHSUYUJZCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-2-7-16-14-17-8-11(15)13(19-14)18-12-6-4-3-5-10(12)9-20/h8,10,12,20H,2-7,9H2,1H3,(H2,16,17,18,19).
What are the key properties of [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol?
[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol has a molecular weight of 298.82 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 106368316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).