4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C15H23ClN4O — CID 169246456

IUPAC4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C15H23ClN4O/c16-13-10-14(20-8-2-1-3-9-20)19-15(18-13)17-11-4-6-12(21)7-5-11/h10-12,21H,1-9H2,(H,17,18,19)
InChIKeyAKYIBCAJNLZWQS-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.84
Rot. Bonds3

About 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 169246456) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID169246456
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)cc(N3CCCCC3)n2)CC1
InChIInChI=1S/C15H23ClN4O/c16-13-10-14(20-8-2-1-3-9-20)19-15(18-13)17-11-4-6-12(21)7-5-11/h10-12,21H,1-9H2,(H,17,18,19)
InChIKeyAKYIBCAJNLZWQS-UHFFFAOYSA-N
XLogP2.84
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopentyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 19428512
4-chloro-N-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 123974719
1-[4-(azepan-1-yl)-6-chloropyrimidin-2-yl]-3-cyclohexylthiourea
CID 100791148
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
N-cyclopropyl-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112939289
4-[(2,6-dichloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 87174143
4-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]cyclohexan-1-ol
CID 133344596
1-[4-(azepan-1-yl)-6-chloropyrimidin-2-yl]-3-propan-2-ylthiourea
CID 100775606
1-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)-3-methylthiourea
CID 100773732
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
4-chloro-6-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)pyrimidin-2-amine
CID 167225907

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 169246456) is 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)cc(N3CCCCC3)n2)CC1.
What is the InChIKey of 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is AKYIBCAJNLZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c16-13-10-14(20-8-2-1-3-9-20)19-15(18-13)17-11-4-6-12(21)7-5-11/h10-12,21H,1-9H2,(H,17,18,19).
What are the key properties of 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 310.83 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 169246456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).