2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol

C13H20ClN3O — CID 55080382

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCc1nc(Cl)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(16-10)17(7-8-18)11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3
InChIKeyCTADDOGSWXLFTC-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.57
Rot. Bonds4

About 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol

2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol (PubChem CID 55080382) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
PubChem CID55080382
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCc1nc(Cl)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(16-10)17(7-8-18)11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3
InChIKeyCTADDOGSWXLFTC-UHFFFAOYSA-N
XLogP2.57
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
6-chloro-N-cyclopropyl-N-ethyl-2-methylpyrimidin-4-amine
CID 62482724
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
N-(2-chloroethyl)-N-cyclobutyl-2,6-dimethylpyrimidin-4-amine
CID 102871699
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
N'-cyclohexyl-N'-(2,6-dimethylpyrimidin-4-yl)propane-1,3-diamine
CID 54939100
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol (CID 55080382) is 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol is Cc1nc(Cl)cc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The InChIKey is CTADDOGSWXLFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-10-15-12(14)9-13(16-10)17(7-8-18)11-5-3-2-4-6-11/h9,11,18H,2-8H2,1H3.
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol?
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol has a molecular weight of 269.78 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 55080382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).