4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

C11H15N3O3 — CID 138635879

IUPAC4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)O)C2
InChIInChI=1S/C11H15N3O3/c1-6(2)9-12-8-5-14(11(16)17)4-3-7(8)10(15)13-9/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyXTCDUXPPLKEJNI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.93
Rot. Bonds1

About 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid

4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (PubChem CID 138635879) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
PubChem CID138635879
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
SMILESCC(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)O)C2
InChIInChI=1S/C11H15N3O3/c1-6(2)9-12-8-5-14(11(16)17)4-3-7(8)10(15)13-9/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyXTCDUXPPLKEJNI-UHFFFAOYSA-N
XLogP0.93
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The IUPAC name of 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid (CID 138635879) is 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is CC(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)O)C2.
What is the InChIKey of 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
The InChIKey is XTCDUXPPLKEJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(2)9-12-8-5-14(11(16)17)4-3-7(8)10(15)13-9/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid?
4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 138635879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).