6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid

C8H10N2O3 — CID 135741778

IUPAC6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-3-6-9-5(8(12)13)4-7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyBBKUGLPJXXZEAD-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.42
Rot. Bonds3

About 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid

6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid (PubChem CID 135741778) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
PubChem CID135741778
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
SMILESCCCc1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-2-3-6-9-5(8(12)13)4-7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyBBKUGLPJXXZEAD-UHFFFAOYSA-N
XLogP0.42
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid (CID 135741778) is 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid is CCCc1nc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is BBKUGLPJXXZEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-6-9-5(8(12)13)4-7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid?
6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135741778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).