3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

C13H19N3O3 — CID 141310111

IUPAC3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc2c(c(=O)n1C(C)(C)C)CN(C(=O)O)CC2
InChIInChI=1S/C13H19N3O3/c1-8-14-10-5-6-15(12(18)19)7-9(10)11(17)16(8)13(2,3)4/h5-7H2,1-4H3,(H,18,19)
InChIKeyXTTQPYYOBJOCEM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.34
Rot. Bonds

About 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid

3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (PubChem CID 141310111) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
PubChem CID141310111
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc2c(c(=O)n1C(C)(C)C)CN(C(=O)O)CC2
InChIInChI=1S/C13H19N3O3/c1-8-14-10-5-6-15(12(18)19)7-9(10)11(17)16(8)13(2,3)4/h5-7H2,1-4H3,(H,18,19)
InChIKeyXTTQPYYOBJOCEM-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid (CID 141310111) is 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is Cc1nc2c(c(=O)n1C(C)(C)C)CN(C(=O)O)CC2.
What is the InChIKey of 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is XTTQPYYOBJOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-14-10-5-6-15(12(18)19)7-9(10)11(17)16(8)13(2,3)4/h5-7H2,1-4H3,(H,18,19).
What are the key properties of 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid?
3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 141310111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).