2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid

C7H8N2O3 — CID 83873702

IUPAC2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid
SMILESCn1cncc(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3/c1-9-4-8-3-5(7(9)12)2-6(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyLBUCTZCDIHNYRY-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.59
Rot. Bonds2

About 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid

2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid (PubChem CID 83873702) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid
PubChem CID83873702
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid
SMILESCn1cncc(CC(=O)O)c1=O
InChIInChI=1S/C7H8N2O3/c1-9-4-8-3-5(7(9)12)2-6(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKeyLBUCTZCDIHNYRY-UHFFFAOYSA-N
XLogP-0.59
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(2-methylsulfanylethyl)pyrimidin-4-one
CID 166057364
2-(3-methylsulfonylimidazol-4-yl)acetic acid
CID 83881806
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
2-[4,6-diethyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]acetic acid
CID 82901907
2-[carboxymethyl-[(3-methylimidazol-4-yl)methyl]amino]acetic acid
CID 66116320
2-[2-(3-methylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66119112
1-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83872265
2-(3-methylimidazol-4-yl)-2-oxoacetic acid
CID 82416720
4-hydroxy-3-methyl-4-(3-methylimidazol-4-yl)butanoic acid
CID 66117662
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
4-[(3-methylimidazol-4-yl)amino]-4-oxobutanoic acid
CID 1133450
(3S)-3-amino-3-(3-methylimidazol-4-yl)butanoic acid
CID 122538046

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid (CID 83873702) is 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid is Cn1cncc(CC(=O)O)c1=O.
What is the InChIKey of 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid?
The InChIKey is LBUCTZCDIHNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-9-4-8-3-5(7(9)12)2-6(10)11/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid?
2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid has a molecular weight of 168.15 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 83873702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).