2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C13H21ClN4O — CID 80827247

IUPAC2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(Cl)c(NC2CCCCC2O)n1
InChIInChI=1S/C13H21ClN4O/c1-2-7-15-13-16-8-9(14)12(18-13)17-10-5-3-4-6-11(10)19/h8,10-11,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyKCHYRHTXBQMRGN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.67
Rot. Bonds5

About 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol

2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 80827247) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID80827247
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCCCNc1ncc(Cl)c(NC2CCCCC2O)n1
InChIInChI=1S/C13H21ClN4O/c1-2-7-15-13-16-8-9(14)12(18-13)17-10-5-3-4-6-11(10)19/h8,10-11,19H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyKCHYRHTXBQMRGN-UHFFFAOYSA-N
XLogP2.67
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368316
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
(1R)-2-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 134520466
(1R)-2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 134520098
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-propyl-6-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80800343
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 80827247) is 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol is CCCNc1ncc(Cl)c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KCHYRHTXBQMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-2-7-15-13-16-8-9(14)12(18-13)17-10-5-3-4-6-11(10)19/h8,10-11,19H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 284.79 g/mol, XLogP of 2.67, 5 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]cyclohexan-1-ol is sourced from PubChem (CID 80827247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).