6-oxo-1-propylpyrimidine-4-carboxylic acid

C8H10N2O3 — CID 150074973

IUPAC6-oxo-1-propylpyrimidine-4-carboxylic acid
SMILESCCCn1cnc(C(=O)O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-10-5-9-6(8(12)13)4-7(10)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyDQBLNMSPODPTHO-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.35
Rot. Bonds3

About 6-oxo-1-propylpyrimidine-4-carboxylic acid

6-oxo-1-propylpyrimidine-4-carboxylic acid (PubChem CID 150074973) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-oxo-1-propylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propylpyrimidine-4-carboxylic acid
PubChem CID150074973
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-oxo-1-propylpyrimidine-4-carboxylic acid
SMILESCCCn1cnc(C(=O)O)cc1=O
InChIInChI=1S/C8H10N2O3/c1-2-3-10-5-9-6(8(12)13)4-7(10)11/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyDQBLNMSPODPTHO-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-oxo-1-propylpyrimidine-4-carboxylic acid (CID 150074973) is 6-oxo-1-propylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-oxo-1-propylpyrimidine-4-carboxylic acid is CCCn1cnc(C(=O)O)cc1=O.
What is the InChIKey of 6-oxo-1-propylpyrimidine-4-carboxylic acid?
The InChIKey is DQBLNMSPODPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-2-3-10-5-9-6(8(12)13)4-7(10)11/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-oxo-1-propylpyrimidine-4-carboxylic acid?
6-oxo-1-propylpyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 150074973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).