6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one

C18H19N5O — CID 72846744

IUPAC6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nccc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O/c1-14-6-4-8-17(24)23(14)13-5-11-20-18-21-12-9-16(22-18)15-7-2-3-10-19-15/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21,22)
InChIKeyUFOKCLDKASPFTI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds6

About 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one

6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one (PubChem CID 72846744) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one
PubChem CID72846744
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one
SMILESCc1cccc(=O)n1CCCNc1nccc(-c2ccccn2)n1
InChIInChI=1S/C18H19N5O/c1-14-6-4-8-17(24)23(14)13-5-11-20-18-21-12-9-16(22-18)15-7-2-3-10-19-15/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21,22)
InChIKeyUFOKCLDKASPFTI-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
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

4-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)pyrimidin-2-amine
CID 74235069
4-[2-[(4-pyridin-2-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 72844304
N-(2,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347047
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74234143
6-methyl-1-[4-(propylamino)butyl]pyridin-2-one
CID 62566200
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74230497
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72875578
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
N-(2,4-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 14347083
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74248691
methyl 2-[2-[3-(2-methylindol-1-yl)propylamino]pyrimidin-4-yl]acetate
CID 167814068

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one?
The IUPAC name of 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one (CID 72846744) is 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one.
What is the SMILES notation for 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one?
The canonical SMILES for 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one is Cc1cccc(=O)n1CCCNc1nccc(-c2ccccn2)n1.
What is the InChIKey of 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one?
The InChIKey is UFOKCLDKASPFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-14-6-4-8-17(24)23(14)13-5-11-20-18-21-12-9-16(22-18)15-7-2-3-10-19-15/h2-4,6-10,12H,5,11,13H2,1H3,(H,20,21,22).
What are the key properties of 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one?
6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one has a molecular weight of 321.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]propyl]pyridin-2-one is sourced from PubChem (CID 72846744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).