2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol

C10H14ClN3O — CID 105369367

IUPAC2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c11-7-5-12-6-13-10(7)14-8-3-1-2-4-9(8)15/h5-6,8-9,15H,1-4H2,(H,12,13,14)
InChIKeyZQAYMOLOPFGZNB-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.85
Rot. Bonds2

About 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol

2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 105369367) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID105369367
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncncc1Cl
InChIInChI=1S/C10H14ClN3O/c11-7-5-12-6-13-10(7)14-8-3-1-2-4-9(8)15/h5-6,8-9,15H,1-4H2,(H,12,13,14)
InChIKeyZQAYMOLOPFGZNB-UHFFFAOYSA-N
XLogP1.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1R,2S)-2-fluorocyclopentyl]pyrimidin-4-amine
CID 126987815
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016
5-chloro-N-cyclopent-3-en-1-ylpyrimidin-4-amine
CID 105369623
5-chloro-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 105369162
5-chloro-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 105369616
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919271
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492
5-chloro-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369904
2-[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80827247
N'-(5-chloropyrimidin-4-yl)-N-cycloheptylethane-1,2-diamine
CID 105370083
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
CID 156865350
5-chloro-4-[(2-hydroxycyclohexyl)amino]-1H-pyrimidin-6-one
CID 136975353

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol (CID 105369367) is 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1ncncc1Cl.
What is the InChIKey of 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is ZQAYMOLOPFGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-7-5-12-6-13-10(7)14-8-3-1-2-4-9(8)15/h5-6,8-9,15H,1-4H2,(H,12,13,14).
What are the key properties of 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol?
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 227.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 105369367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).