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

C11H16ClN3O — CID 106130672

IUPAC4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3O/c12-9-6-14-11(15-7-9)13-5-8-1-3-10(16)4-2-8/h6-8,10,16H,1-5H2,(H,13,14,15)
InChIKeyPMJVCDTUMCGFEB-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.09
Rot. Bonds3

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

4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130672) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106130672
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNc2ncc(Cl)cn2)CC1
InChIInChI=1S/C11H16ClN3O/c12-9-6-14-11(15-7-9)13-5-8-1-3-10(16)4-2-8/h6-8,10,16H,1-5H2,(H,13,14,15)
InChIKeyPMJVCDTUMCGFEB-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(thian-4-ylmethyl)pyrimidin-2-amine
CID 115674171
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
5-chloro-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]pyrimidin-2-amine
CID 129002347
4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
4-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525747
(1R)-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 124743423
4-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138848
5-chloro-N-(2-cyclopentylethyl)pyrimidin-2-amine
CID 79555365
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130416
4-[[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106138618

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol (CID 106130672) is 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is OC1CCC(CNc2ncc(Cl)cn2)CC1.
What is the InChIKey of 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PMJVCDTUMCGFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-9-6-14-11(15-7-9)13-5-8-1-3-10(16)4-2-8/h6-8,10,16H,1-5H2,(H,13,14,15).
What are the key properties of 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol?
4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloropyrimidin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).