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

C7H9N3O3 — CID 136958447

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-4-9-5(2-6(11)10-4)8-3-7(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyHHMKMOHCXGEDLL-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.43
Rot. Bonds3

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958447) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958447
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-4-9-5(2-6(11)10-4)8-3-7(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyHHMKMOHCXGEDLL-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-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 137015876
2-(4-Acetamido-2-oxopyrimidin-1-yl)acetic acid
CID 129988780
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
4-(2-hydroxyethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956025
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]acetate
CID 136956150
4-[(2-hydroxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956748
2-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958334
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958447) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Cc1nc(NCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is HHMKMOHCXGEDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-9-5(2-6(11)10-4)8-3-7(12)13/h2H,3H2,1H3,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(2-methyl-6-oxo-1H-pyrimidin-4-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-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).