4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione

C15H11F3N4O4 — CID 139594541

IUPAC4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
SMILESCOc1cc(OC)nc(C2C(=O)NC(=O)c3cc(C(F)(F)F)ncc32)n1
InChIInChI=1S/C15H11F3N4O4/c1-25-9-4-10(26-2)21-12(20-9)11-7-5-19-8(15(16,17)18)3-6(7)13(23)22-14(11)24/h3-5,11H,1-2H3,(H,22,23,24)
InChIKeyCISPFZXUZPXYNQ-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.31
Rot. Bonds3

About 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione

4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione (PubChem CID 139594541) has the molecular formula C15H11F3N4O4 and a molecular weight of 368.27 g/mol. Its IUPAC name is 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione.

Molecular Properties

Compound Name4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
PubChem CID139594541
Molecular FormulaC15H11F3N4O4
Molecular Weight368.27 g/mol
Exact Mass368.07
IUPAC Name4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione
SMILESCOc1cc(OC)nc(C2C(=O)NC(=O)c3cc(C(F)(F)F)ncc32)n1
InChIInChI=1S/C15H11F3N4O4/c1-25-9-4-10(26-2)21-12(20-9)11-7-5-19-8(15(16,17)18)3-6(7)13(23)22-14(11)24/h3-5,11H,1-2H3,(H,22,23,24)
InChIKeyCISPFZXUZPXYNQ-UHFFFAOYSA-N
XLogP1.31
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione with MolForge

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Related Compounds

[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
1-(4,6-Dimethoxypyrimidine-2-yl)-7-trifluoromethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 91140958
2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 16223773
(7R)-2-amino-7-[4-fluoro-2-(4-methoxypyrimidin-2-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424817
N-(4,6-dimethoxypyrimidin-2-ylmethyl)-4-trifluoromethyl-nicotinamide
CID 59848500
N-[(4,6-dimethoxypyrimidin-2-yl)carbamothioyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 141048551
6-(1,1-difluoroethyl)-5-fluoro-N-[(4-methoxypyrimidin-5-yl)methyl]pyridine-3-carboxamide
CID 166012142
6-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-2-(trifluoromethyl)-1,6-naphthyridin-5-one
CID 24735398
N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 101998969
6-methoxy-N-{1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl}pyrimidin-4-amine
CID 126887940
1-ethyl-N'-(4-methoxypyrimidin-2-yl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carbohydrazide
CID 39654568
2-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-4-carboxamide
CID 107625818

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione?
The IUPAC name of 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione (CID 139594541) is 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione.
What is the SMILES notation for 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione?
The canonical SMILES for 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione is COc1cc(OC)nc(C2C(=O)NC(=O)c3cc(C(F)(F)F)ncc32)n1.
What is the InChIKey of 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione?
The InChIKey is CISPFZXUZPXYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O4/c1-25-9-4-10(26-2)21-12(20-9)11-7-5-19-8(15(16,17)18)3-6(7)13(23)22-14(11)24/h3-5,11H,1-2H3,(H,22,23,24).
What are the key properties of 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione?
4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione has a molecular weight of 368.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxypyrimidin-2-yl)-7-(trifluoromethyl)-4H-2,6-naphthyridine-1,3-dione is sourced from PubChem (CID 139594541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).