2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid

C10H13ClN2O3 — CID 83852762

IUPAC2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
SMILESCC(C)Cn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C10H13ClN2O3/c1-6(2)5-13-7(4-9(14)15)3-8(11)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,14,15)
InChIKeyUJOMKMGQADGEIO-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.18
Rot. Bonds4

About 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid

2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid (PubChem CID 83852762) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
PubChem CID83852762
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
SMILESCC(C)Cn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C10H13ClN2O3/c1-6(2)5-13-7(4-9(14)15)3-8(11)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,14,15)
InChIKeyUJOMKMGQADGEIO-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.18
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-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 113259081
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79630141
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-(6-Chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852134
2-(3-Tert-butyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852233
2-[3-(2-Methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852234

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid (CID 83852762) is 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid is CC(C)Cn1c(CC(=O)O)cc(Cl)nc1=O.
What is the InChIKey of 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The InChIKey is UJOMKMGQADGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6(2)5-13-7(4-9(14)15)3-8(11)12-10(13)16/h3,6H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid has a molecular weight of 244.68 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid is sourced from PubChem (CID 83852762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).