5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one

C15H20N4O2 — CID 59900353

IUPAC5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCCCn1ccc(Cc2cnc(NC)[nH]c2=O)cc1=O
InChIInChI=1S/C15H20N4O2/c1-3-4-6-19-7-5-11(9-13(19)20)8-12-10-17-15(16-2)18-14(12)21/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,16,17,18,21)
InChIKeyGPZFBFNCQOFVHI-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.36
Rot. Bonds6

About 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one

5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one (PubChem CID 59900353) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one
PubChem CID59900353
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one
SMILESCCCCn1ccc(Cc2cnc(NC)[nH]c2=O)cc1=O
InChIInChI=1S/C15H20N4O2/c1-3-4-6-19-7-5-11(9-13(19)20)8-12-10-17-15(16-2)18-14(12)21/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,16,17,18,21)
InChIKeyGPZFBFNCQOFVHI-UHFFFAOYSA-N
XLogP1.36
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-7-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136164839
2,6-diamino-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-4-ol
CID 135443714
2-Nitroamino-5-(1-n-butyl-2-oxopyridin-4-ylmethyl)pyrimidin-4-one
CID 18470132
5-[(2Z)-2-ethenylpenta-2,4-dienyl]-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 144832574
5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
CID 153788121
6-(1-acetylpiperidin-4-yl)-8-methyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 156337750
4-[(5S)-2-amino-1,5-dimethyl-6-oxo-4,5-dihydropyrimidin-4-yl]-1,2-dihydropyridine-3-carboxamide
CID 173108469
2-Amino-5-[(1,2-dihydro-2-oxo-4-pyridinyl)methyl]-4(1H)-pyrimidinone
CID 14975744
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111208679
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111208680
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111209269
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111209270

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one (CID 59900353) is 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one is CCCCn1ccc(Cc2cnc(NC)[nH]c2=O)cc1=O.
What is the InChIKey of 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is GPZFBFNCQOFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-4-6-19-7-5-11(9-13(19)20)8-12-10-17-15(16-2)18-14(12)21/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,16,17,18,21).
What are the key properties of 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one?
5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one has a molecular weight of 288.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butyl-2-oxo-4-pyridinyl)methyl]-2-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 59900353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).