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

C8H11N3O3 — CID 136958428

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NC(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(8(13)14)9-6-3-7(12)11-5(2)10-6/h3-4H,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyQMZKEMQWWSBKDX-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.04
Rot. Bonds3

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958428) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958428
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NC(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-4(8(13)14)9-6-3-7(12)11-5(2)10-6/h3-4H,1-2H3,(H,13,14)(H2,9,10,11,12)
InChIKeyQMZKEMQWWSBKDX-UHFFFAOYSA-N
XLogP-0.04
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
(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
3,3,3-trifluoro-2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959293
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 137015876
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956082
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956410
4-(1,3-dihydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956712

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958428) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is Cc1nc(NC(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is QMZKEMQWWSBKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(8(13)14)9-6-3-7(12)11-5(2)10-6/h3-4H,1-2H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).