2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid

C9H10N2O3 — CID 83852012

IUPAC2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CC1
InChIInChI=1S/C9H10N2O3/c12-8(13)5-7-3-4-10-9(14)11(7)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyYFZLSKOAJNULEF-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.21
Rot. Bonds3

About 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid

2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852012) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852012
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1ccnc(=O)n1C1CC1
InChIInChI=1S/C9H10N2O3/c12-8(13)5-7-3-4-10-9(14)11(7)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13)
InChIKeyYFZLSKOAJNULEF-UHFFFAOYSA-N
XLogP0.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184
2-(3-Tert-butyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852233
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234
2-(6-Chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852345
2-(3-Cyclopentyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852410
2-(3-Cyclopropyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
CID 83852448

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852012) is 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1ccnc(=O)n1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is YFZLSKOAJNULEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c12-8(13)5-7-3-4-10-9(14)11(7)6-1-2-6/h3-4,6H,1-2,5H2,(H,12,13).
What are the key properties of 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).