1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid

C12H13N3O4 — CID 63772750

IUPAC1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2ccc(C(=O)O)nc21
InChIInChI=1S/C12H13N3O4/c1-6(2)5-15-9-7(10(16)14-12(15)19)3-4-8(13-9)11(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeySOVNHMPVRWOZPJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.44
Rot. Bonds3

About 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid

1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid (PubChem CID 63772750) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
PubChem CID63772750
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid
SMILESCC(C)Cn1c(=O)[nH]c(=O)c2ccc(C(=O)O)nc21
InChIInChI=1S/C12H13N3O4/c1-6(2)5-15-9-7(10(16)14-12(15)19)3-4-8(13-9)11(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeySOVNHMPVRWOZPJ-UHFFFAOYSA-N
XLogP0.44
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56808272
8-bromo-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465354
6-(aminomethyl)-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 63773438
7-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 94103454
3-(2-methylpropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 112576480
3-(2-methylpropyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 134794147
N-benzyl-1-(2-methylpropyl)-2,4-dioxo-N,7-di(propan-2-yl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 52714764
ethyl 1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17413883
8-(1-chloroethyl)-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 102549471
7-(4-cyclopropylpiperazine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 56799693
methyl 7-(4-chlorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxylate
CID 4827614
8-(3-hydroxypropylamino)-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465364

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid (CID 63772750) is 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid is CC(C)Cn1c(=O)[nH]c(=O)c2ccc(C(=O)O)nc21.
What is the InChIKey of 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
The InChIKey is SOVNHMPVRWOZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6(2)5-15-9-7(10(16)14-12(15)19)3-4-8(13-9)11(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid?
1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 63772750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).