1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

C15H17ClN4O — CID 135096791

IUPAC1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1ncc(Cl)c(N2CCC(O)(c3cccnc3)CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-18-10-13(16)14(19-11)20-7-4-15(21,5-8-20)12-3-2-6-17-9-12/h2-3,6,9-10,21H,4-5,7-8H2,1H3
InChIKeyLWHMAGVMRDZFDB-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol

1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 135096791) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
PubChem CID135096791
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1ncc(Cl)c(N2CCC(O)(c3cccnc3)CC2)n1
InChIInChI=1S/C15H17ClN4O/c1-11-18-10-13(16)14(19-11)20-7-4-15(21,5-8-20)12-3-2-6-17-9-12/h2-3,6,9-10,21H,4-5,7-8H2,1H3
InChIKeyLWHMAGVMRDZFDB-UHFFFAOYSA-N
XLogP2.32
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol (CID 135096791) is 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is Cc1ncc(Cl)c(N2CCC(O)(c3cccnc3)CC2)n1.
What is the InChIKey of 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is LWHMAGVMRDZFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-18-10-13(16)14(19-11)20-7-4-15(21,5-8-20)12-3-2-6-17-9-12/h2-3,6,9-10,21H,4-5,7-8H2,1H3.
What are the key properties of 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol?
1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 304.78 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 135096791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).