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

C7H9N3O3 — CID 135449770

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(=O)[nH]c(NCC(=O)O)n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyBZWPDBVGNOXQSU-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.43
Rot. Bonds3

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (PubChem CID 135449770) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
PubChem CID135449770
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
SMILESCc1cc(=O)[nH]c(NCC(=O)O)n1
InChIInChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyBZWPDBVGNOXQSU-UHFFFAOYSA-N
XLogP-0.43
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxyethyl)amino]-6-methylpyrimidin-4(3H)-one
CID 135403602
2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
(2-Amino-4-methyl-6-oxo-6H-pyrimidin-1-yl)acetic acid
CID 6424520
N-(4-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)glycine
CID 135442353
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
2-(Dimethylamino)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 135398941
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674882
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674884
n-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]glycine
CID 136388269
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]propanoic acid
CID 136388270
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135778559
2-(Methylamino)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 136316357

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid (CID 135449770) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is Cc1cc(=O)[nH]c(NCC(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
The InChIKey is BZWPDBVGNOXQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-5(11)10-7(9-4)8-3-6(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid is sourced from PubChem (CID 135449770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).