5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione

C12H10N3O3+ — CID 78578190

IUPAC5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(-c3ccco3)cc[nH+]c21
InChIInChI=1S/C12H9N3O3/c1-15-10-9(11(16)14-12(15)17)7(4-5-13-10)8-3-2-6-18-8/h2-6H,1H3,(H,14,16,17)/p+1
InChIKeyVYTIYWYXDMUOTI-UHFFFAOYSA-O
MW244.23 g/mol
LogP0.30
Rot. Bonds1

About 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione

5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione (PubChem CID 78578190) has the molecular formula C12H10N3O3+ and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione.

Molecular Properties

Compound Name5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
PubChem CID78578190
Molecular FormulaC12H10N3O3+
Molecular Weight244.23 g/mol
Exact Mass244.07
IUPAC Name5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione
SMILESCn1c(=O)[nH]c(=O)c2c(-c3ccco3)cc[nH+]c21
InChIInChI=1S/C12H9N3O3/c1-15-10-9(11(16)14-12(15)17)7(4-5-13-10)8-3-2-6-18-8/h2-6H,1H3,(H,14,16,17)/p+1
InChIKeyVYTIYWYXDMUOTI-UHFFFAOYSA-O
XLogP0.30
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-N-Cyclohexyl-4-[[5-(2-furanyl)-1,2-dihydro-3-methyl-2-oxo-1,7-naphthyridin-8-yl]amino]-1-methyl-3-piperidinecarboxamide
CID 146681130
N-[5-(furan-3-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240123
N-[5-(furan-2-yl)-2-pyridinyl]pyrimidine-5-carboxamide
CID 129240160
(3R,4R)-N-cyclohexyl-1-methyl-4-[[3-methyl-5-(3-methylfuran-2-yl)-2-oxo-1H-1,7-naphthyridin-8-yl]amino]piperidine-3-carboxamide
CID 162643583
2-amino-5-(furan-3-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061597
US20230322767, Example 116
CID 162687040
5-(furan-2-yl)-2-hydroxy-1-(tetrahydrofuran-2-ylmethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
CID 16414715
4-(furan-2-yl)-2,6-dimethyl-3-N,5-N-dipyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxamide
CID 46855145
3-Benzyl-5-(4-ethoxyphenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 44371253
6-[(E)-3-[4-(furan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-oxoprop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 71261721
2-(furan-2-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 12903730
2-(Furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one
CID 12903734

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The IUPAC name of 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione (CID 78578190) is 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione.
What is the SMILES notation for 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The canonical SMILES for 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione is Cn1c(=O)[nH]c(=O)c2c(-c3ccco3)cc[nH+]c21.
What is the InChIKey of 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
The InChIKey is VYTIYWYXDMUOTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9N3O3/c1-15-10-9(11(16)14-12(15)17)7(4-5-13-10)8-3-2-6-18-8/h2-6H,1H3,(H,14,16,17)/p+1.
What are the key properties of 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione?
5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione has a molecular weight of 244.23 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-methylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione is sourced from PubChem (CID 78578190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).