[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol

C13H20ClN3O — CID 106364141

IUPAC[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1c(Cl)ncnc1NC1CCCCC1CO
InChIInChI=1S/C13H20ClN3O/c1-2-10-12(14)15-8-16-13(10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17)
InChIKeySNCIQCRSRWCWDE-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.66
Rot. Bonds4

About [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol

[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 106364141) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID106364141
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCCc1c(Cl)ncnc1NC1CCCCC1CO
InChIInChI=1S/C13H20ClN3O/c1-2-10-12(14)15-8-16-13(10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17)
InChIKeySNCIQCRSRWCWDE-UHFFFAOYSA-N
XLogP2.66
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
[2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368007
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826428
[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630405
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114178800
[2-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]cyclohexyl]methanol
CID 106368292

Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol (CID 106364141) is [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol is CCc1c(Cl)ncnc1NC1CCCCC1CO.
What is the InChIKey of [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is SNCIQCRSRWCWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-10-12(14)15-8-16-13(10)17-11-6-4-3-5-9(11)7-18/h8-9,11,18H,2-7H2,1H3,(H,15,16,17).
What are the key properties of [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol?
[2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 269.78 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 106364141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).