2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C9H12N2O4 — CID 165463898

IUPAC2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCC(OC)c1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-3-6(15-2)8-10-5(9(13)14)4-7(12)11-8/h4,6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyUPCNBIKPERUDBN-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.57
Rot. Bonds4

About 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 165463898) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID165463898
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCC(OC)c1nc(C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-3-6(15-2)8-10-5(9(13)14)4-7(12)11-8/h4,6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyUPCNBIKPERUDBN-UHFFFAOYSA-N
XLogP0.57
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylbutyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 165463868
6-oxo-2-propyl-1H-pyrimidine-4-carboxylic acid
CID 135741778
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136965380
2-(1-ethoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136997545
3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965373
6-tert-butyl-2-(1-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475976
methyl 2-(1-methoxypropyl)-1H-imidazole-5-carboxylate
CID 116730510
4-amino-2-(1-sulfanylpropyl)-1H-pyrimidin-6-one
CID 175434146
2-decylsulfanyl-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136871940
2-(1-ethoxypropyl)-6-methylpyrimidine-4-carboxylic acid
CID 116731360

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 165463898) is 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is CCC(OC)c1nc(C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is UPCNBIKPERUDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-6(15-2)8-10-5(9(13)14)4-7(12)11-8/h4,6H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165463898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).