2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid

C10H11ClN2O3 — CID 83852723

IUPAC2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(=O)n1C1CCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-4-7(5-9(14)15)13(10(16)12-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)
InChIKeyQBVLFPYZIMLIPA-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.25
Rot. Bonds3

About 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid

2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852723) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852723
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(=O)n1C1CCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-4-7(5-9(14)15)13(10(16)12-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15)
InChIKeyQBVLFPYZIMLIPA-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.25
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
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(3-Cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852012
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(6-Chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852134
2-(3-Cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852184
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-(6-Chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
2-(6-Chloro-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852567
2-(3-Cyclobutyl-6-methoxy-2-oxopyrimidin-4-yl)acetic acid
CID 83852659

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852723) is 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(Cl)nc(=O)n1C1CCC1.
What is the InChIKey of 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is QBVLFPYZIMLIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-4-7(5-9(14)15)13(10(16)12-8)6-2-1-3-6/h4,6H,1-3,5H2,(H,14,15).
What are the key properties of 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid?
2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 242.66 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).