2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

C7H9N3O3 — CID 84658880

IUPAC2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C7H9N3O3/c1-3-4(2-5(11)12)6(8)10-7(13)9-3/h2H2,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeySLGNRRQGOWRWMD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.71
Rot. Bonds2

About 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid

2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 84658880) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID84658880
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
SMILESCc1[nH]c(=O)nc(N)c1CC(=O)O
InChIInChI=1S/C7H9N3O3/c1-3-4(2-5(11)12)6(8)10-7(13)9-3/h2H2,1H3,(H,11,12)(H3,8,9,10,13)
InChIKeySLGNRRQGOWRWMD-UHFFFAOYSA-N
XLogP-0.71
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dimethyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16643877
2-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84667440
2-(4-amino-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668885
2-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84676616
2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 84678268
2-(4-amino-6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84679769
2-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84688200
2-(4-amino-6-tert-butyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84689702
2-(4-amino-6-propan-2-yl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84691278

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid (CID 84658880) is 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is Cc1[nH]c(=O)nc(N)c1CC(=O)O.
What is the InChIKey of 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is SLGNRRQGOWRWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-4(2-5(11)12)6(8)10-7(13)9-3/h2H2,1H3,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid?
2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 84658880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).