1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one

C13H16N4O — CID 118033881

IUPAC1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCCNc1cc(-c2ccn(C)c(=O)c2)ncn1
InChIInChI=1S/C13H16N4O/c1-3-5-14-12-8-11(15-9-16-12)10-4-6-17(2)13(18)7-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDCOWIGLEBUBKIA-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.66
Rot. Bonds4

About 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one

1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one (PubChem CID 118033881) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
PubChem CID118033881
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
SMILESCCCNc1cc(-c2ccn(C)c(=O)c2)ncn1
InChIInChI=1S/C13H16N4O/c1-3-5-14-12-8-11(15-9-16-12)10-4-6-17(2)13(18)7-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16)
InChIKeyDCOWIGLEBUBKIA-UHFFFAOYSA-N
XLogP1.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propylpyrimidin-4-amine
CID 106598602
6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 114283482
6-(4-cyclobutylphenyl)-N-propylpyrimidin-4-amine
CID 116506983
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80790691
4-[6-(propylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855501
6-(2-methyl-1H-imidazol-5-yl)-N-propylpyrimidin-4-amine
CID 134214075
N-[3-[6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91784966
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
N'-[6-(4-methylphenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 82473894

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one (CID 118033881) is 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one is CCCNc1cc(-c2ccn(C)c(=O)c2)ncn1.
What is the InChIKey of 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one?
The InChIKey is DCOWIGLEBUBKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-5-14-12-8-11(15-9-16-12)10-4-6-17(2)13(18)7-10/h4,6-9H,3,5H2,1-2H3,(H,14,15,16).
What are the key properties of 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one?
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one is sourced from PubChem (CID 118033881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).