2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid

C10H12N2O4 — CID 83891560

IUPAC2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(=O)n1C1CC1
InChIInChI=1S/C10H12N2O4/c1-6-4-8(13)11(5-9(14)15)10(16)12(6)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15)
InChIKeyGCCARPGZLWPTCN-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.26
Rot. Bonds3

About 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid

2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid (PubChem CID 83891560) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
PubChem CID83891560
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(=O)n1C1CC1
InChIInChI=1S/C10H12N2O4/c1-6-4-8(13)11(5-9(14)15)10(16)12(6)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15)
InChIKeyGCCARPGZLWPTCN-UHFFFAOYSA-N
XLogP-0.26
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[cyclopropyl-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]amino]propanoate
CID 53578384
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
2-[3-Methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
CID 134104390
2-(6-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 12295372
2-(3-Butyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)acetic acid
CID 53657980
Methyl 2-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)acetate
CID 161859570
2-(2,4-Dioxo-3-propan-2-ylpyrimidin-1-yl)acetic acid
CID 177029709
2-(3,6-Dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid
CID 25420487
2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
CID 54945947
2-[Cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 60826118
2-[butan-2-yl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
CID 60829902
Ethyl 2-[cyclopropyl-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]amino]acetate
CID 61517814

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid (CID 83891560) is 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)c(=O)n1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is GCCARPGZLWPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-4-8(13)11(5-9(14)15)10(16)12(6)7-2-3-7/h4,7H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid?
2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 83891560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).