2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid

C7H9N3O3 — CID 84658879

IUPAC2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNc1ncc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-7-9-3-4(2-5(11)12)6(13)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeySCMYGHUUGJQIPL-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.56
Rot. Bonds3

About 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid

2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 84658879) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID84658879
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid
SMILESCNc1ncc(CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-7-9-3-4(2-5(11)12)6(13)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeySCMYGHUUGJQIPL-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 83851930
1-[2-(methylamino)-1H-imidazol-5-yl]ethanone
CID 45085559
2-[5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 84677639
2-[2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 53214781
2-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 83817339
3-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 84666763
2-[[2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 90702478
2-[6-oxo-2-(1-phenylcyclopropyl)-1H-pyrimidin-5-yl]acetic acid
CID 100591958
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710
2-(2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 19781543
2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
2-(2-ethyl-6-oxo-1H-pyrimidin-5-yl)acetic acid;4-oxa-1-azabicyclo[3.1.0]hexane
CID 88622145

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid (CID 84658879) is 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid is CNc1ncc(CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is SCMYGHUUGJQIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-7-9-3-4(2-5(11)12)6(13)10-7/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid?
2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 183.17 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)-6-oxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 84658879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).