2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid

C7H9N3O3 — CID 6424520

IUPAC2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N)n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10(3-6(12)13)7(8)9-4/h2H,3H2,1H3,(H2,8,9)(H,12,13)
InChIKeyIFZWTDCLJOZRAP-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.78
Rot. Bonds2

About 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid

2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 6424520) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID6424520
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(N)n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10(3-6(12)13)7(8)9-4/h2H,3H2,1H3,(H2,8,9)(H,12,13)
InChIKeyIFZWTDCLJOZRAP-UHFFFAOYSA-N
XLogP-0.78
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 6424520) is 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid is Cc1cc(=O)n(CC(=O)O)c(N)n1.
What is the InChIKey of 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is IFZWTDCLJOZRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-5(11)10(3-6(12)13)7(8)9-4/h2H,3H2,1H3,(H2,8,9)(H,12,13).
What are the key properties of 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 6424520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).