2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid

C9H10N2O3 — CID 83852014

IUPAC2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c12-8(13)4-6-3-7(5-1-2-5)11-9(14)10-6/h3,5H,1-2,4H2,(H,12,13)(H,10,11,14)
InChIKeySCIUIWCPPXZCTG-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.27
Rot. Bonds3

About 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid

2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83852014) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83852014
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1cc(C2CC2)nc(=O)[nH]1
InChIInChI=1S/C9H10N2O3/c12-8(13)4-6-3-7(5-1-2-5)11-9(14)10-6/h3,5H,1-2,4H2,(H,12,13)(H,10,11,14)
InChIKeySCIUIWCPPXZCTG-UHFFFAOYSA-N
XLogP0.27
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83852014) is 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is O=C(O)Cc1cc(C2CC2)nc(=O)[nH]1.
What is the InChIKey of 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is SCIUIWCPPXZCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(13)4-6-3-7(5-1-2-5)11-9(14)10-6/h3,5H,1-2,4H2,(H,12,13)(H,10,11,14).
What are the key properties of 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83852014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).