6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate

C9H11N2O3- — CID 7219734

IUPAC6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCC(C)Cc1cc(C(=O)[O-])nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)/p-1
InChIKeyWDIFSCKLWBVBLR-UHFFFAOYSA-M
MW195.20 g/mol
LogP-0.67
Rot. Bonds3

About 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate

6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 7219734) has the molecular formula C9H11N2O3- and a molecular weight of 195.20 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
PubChem CID7219734
Molecular FormulaC9H11N2O3-
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCC(C)Cc1cc(C(=O)[O-])nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)/p-1
InChIKeyWDIFSCKLWBVBLR-UHFFFAOYSA-M
XLogP-0.67
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
Ethyl 2-hydroxy-6-methylpyrimidine-4-carboxylate
CID 2745455
Methyl 2-hydroxy-6-methylpyrimidine-4-carboxylate
CID 2746263
6-Tert-butyl-2-hydroxy-pyrimidine-4-carboxylic acid
CID 25801801
ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
CID 6424882
Methyl 6-n-butyl-2-hydroxypyrimidine-4-carboxylate
CID 19791912
6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxamide
CID 145944028
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-ethyl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 33695345
6-Cyclopropyl-2-hydroxypyrimidine-4-carboxylic acid
CID 39237230
6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid hydrochloride
CID 71308010
Methyl 2-oxo-3,5-dihydrobenzimidazole-5-carboxylate
CID 71651741

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate (CID 7219734) is 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate is CC(C)Cc1cc(C(=O)[O-])nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is WDIFSCKLWBVBLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12N2O3/c1-5(2)3-6-4-7(8(12)13)11-9(14)10-6/h4-5H,3H2,1-2H3,(H,12,13)(H,10,11,14)/p-1.
What are the key properties of 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 195.20 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 7219734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).