5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

C15H17ClN4O — CID 137289020

IUPAC5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCN1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H17ClN4O/c1-20-8-4-10(5-9-20)13-12(16)15(21)19-14(18-13)11-2-6-17-7-3-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyMWSAVHZYXDDHJP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.29
Rot. Bonds2

About 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one

5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137289020) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137289020
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCN1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C15H17ClN4O/c1-20-8-4-10(5-9-20)13-12(16)15(21)19-14(18-13)11-2-6-17-7-3-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21)
InChIKeyMWSAVHZYXDDHJP-UHFFFAOYSA-N
XLogP2.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291420
4-[1-(benzenesulfinyl)piperidin-4-yl]-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 155217234
5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309356
5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane
CID 142309355
5-chloro-4-[(2S)-2-(2-hydroxypropan-2-yl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 146521380
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
CID 137291673
5-chloro-4-[2-(2-methylpropyl)morpholin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291499
5-chloro-4-[3-(1,1-difluoroethyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137289020) is 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is CN1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is MWSAVHZYXDDHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-20-8-4-10(5-9-20)13-12(16)15(21)19-14(18-13)11-2-6-17-7-3-11/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,18,19,21).
What are the key properties of 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 304.78 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137289020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).