1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C18H26N4O3 — CID 156603530

IUPAC1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCCN1C(=O)CCC2CN(C(=O)c3cnc(C)[nH]c3=O)CCC21
InChIInChI=1S/C18H26N4O3/c1-3-4-8-22-15-7-9-21(11-13(15)5-6-16(22)23)18(25)14-10-19-12(2)20-17(14)24/h10,13,15H,3-9,11H2,1-2H3,(H,19,20,24)
InChIKeyZCVUCEIVAOEUGT-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.33
Rot. Bonds4

About 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 156603530) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID156603530
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCCCN1C(=O)CCC2CN(C(=O)c3cnc(C)[nH]c3=O)CCC21
InChIInChI=1S/C18H26N4O3/c1-3-4-8-22-15-7-9-21(11-13(15)5-6-16(22)23)18(25)14-10-19-12(2)20-17(14)24/h10,13,15H,3-9,11H2,1-2H3,(H,19,20,24)
InChIKeyZCVUCEIVAOEUGT-UHFFFAOYSA-N
XLogP1.33
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

2-methyl-6-{3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanoyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217038
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanamide
CID 136262771
(4aS*,8aR*)-6-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56885417
(4aS*,8aR*)-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906413
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-[(2-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 70734080
(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
9-N,9-N,6-trimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3,9-dicarboxamide
CID 54178618
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
(4aS*,8aR*)-1-butyl-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56897289
(4aS*,8aR*)-1-isobutyl-6-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56903942
2-methyl-5-{[3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidin-1'-yl]carbonyl}pyrimidin-4(3H)-one
CID 70716004

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 156603530) is 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCCCN1C(=O)CCC2CN(C(=O)c3cnc(C)[nH]c3=O)CCC21.
What is the InChIKey of 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is ZCVUCEIVAOEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-4-8-22-15-7-9-21(11-13(15)5-6-16(22)23)18(25)14-10-19-12(2)20-17(14)24/h10,13,15H,3-9,11H2,1-2H3,(H,19,20,24).
What are the key properties of 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 156603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).