3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one

C18H25N5O — CID 22595633

IUPAC3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCCN2CCCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H25N5O/c1-22-17(24)14-16(15-6-9-19-10-7-15)21-18(22)20-8-5-13-23-11-3-2-4-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,20,21)
InChIKeyNJFJXZLKRQLHSG-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds6

About 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one

3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 22595633) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
PubChem CID22595633
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(NCCCN2CCCCC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C18H25N5O/c1-22-17(24)14-16(15-6-9-19-10-7-15)21-18(22)20-8-5-13-23-11-3-2-4-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,20,21)
InChIKeyNJFJXZLKRQLHSG-UHFFFAOYSA-N
XLogP2.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-aminopentylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595671
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595679
3-methyl-6-pyridin-4-yl-2-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]pyrimidin-4-one
CID 154632881
2-[2-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 154632925
tert-butyl 2-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 59576772
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-[(3-fluorophenoxy)methylamino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 174473014
tert-butyl (3R)-3-[[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 59576928
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
CID 11151770
1-hydroxy-2-methyl-6-(3-pyrrolidin-1-ylpropylamino)isoquinolin-3-one
CID 90767934
(3S,4S)-3-fluoro-4-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 67426438
3-methyl-6-pyridin-4-yl-2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
CID 10224712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one (CID 22595633) is 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one is Cn1c(NCCCN2CCCCC2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is NJFJXZLKRQLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-17(24)14-16(15-6-9-19-10-7-15)21-18(22)20-8-5-13-23-11-3-2-4-12-23/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,20,21).
What are the key properties of 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one?
3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-piperidin-1-ylpropylamino)-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 22595633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).