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

C10H14N2O3 — CID 83852234

IUPAC2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
SMILESCC(C)Cn1c(CC(=O)O)ccnc1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-12-8(5-9(13)14)3-4-11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQOPXXJHCJGNPAT-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.53
Rot. Bonds4

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

2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid (PubChem CID 83852234) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
PubChem CID83852234
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
SMILESCC(C)Cn1c(CC(=O)O)ccnc1=O
InChIInChI=1S/C10H14N2O3/c1-7(2)6-12-8(5-9(13)14)3-4-11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeyQOPXXJHCJGNPAT-UHFFFAOYSA-N
XLogP0.53
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.53
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
(2S)-2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 67469247
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]prop-2-enoic acid
CID 64116681
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
CID 79630141
2-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 82413494
2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(3-Cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852012

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid (CID 83852234) is 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid is CC(C)Cn1c(CC(=O)O)ccnc1=O.
What is the InChIKey of 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
The InChIKey is QOPXXJHCJGNPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(2)6-12-8(5-9(13)14)3-4-11-10(12)15/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid?
2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid is sourced from PubChem (CID 83852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).