1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid

C9H10N2O3 — CID 83858507

IUPAC1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)nc(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c1-5-4-6(11-8(14)10-5)9(2-3-9)7(12)13/h4H,2-3H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyUFNBSUJBAYNKCW-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.19
Rot. Bonds2

About 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid

1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid (PubChem CID 83858507) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid
PubChem CID83858507
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CC2)nc(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c1-5-4-6(11-8(14)10-5)9(2-3-9)7(12)13/h4H,2-3H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyUFNBSUJBAYNKCW-UHFFFAOYSA-N
XLogP0.19
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid (CID 83858507) is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CC2)nc(=O)[nH]1.
What is the InChIKey of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid?
The InChIKey is UFNBSUJBAYNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-5-4-6(11-8(14)10-5)9(2-3-9)7(12)13/h4H,2-3H2,1H3,(H,12,13)(H,10,11,14).
What are the key properties of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid?
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83858507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).