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

C7H9N3O3 — CID 83864227

IUPAC2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCNc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c1-8-5-2-4(3-6(11)12)9-7(13)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyZGKHBKSGWYEWNE-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.56
Rot. Bonds3

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

2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (PubChem CID 83864227) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
PubChem CID83864227
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
SMILESCNc1cc(CC(=O)O)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O3/c1-8-5-2-4(3-6(11)12)9-7(13)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10,13)
InChIKeyZGKHBKSGWYEWNE-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-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
2-(2-oxo-4-pyrrolidin-1-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852431
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
2-[4-(cyclopropylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864234
2-[4-(diethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83864294
2-[5-bromo-4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83867164
2-[5-chloro-4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83869009
2-[4-(methylamino)-2-sulfanylidene-1H-pyrimidin-6-yl]acetic acid
CID 83872006
2-[4-(dimethylamino)-2-sulfanylidene-1H-pyrimidin-6-yl]acetic acid
CID 129975940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The IUPAC name of 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid (CID 83864227) is 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is CNc1cc(CC(=O)O)[nH]c(=O)n1.
What is the InChIKey of 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
The InChIKey is ZGKHBKSGWYEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-5-2-4(3-6(11)12)9-7(13)10-5/h2H,3H2,1H3,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid?
2-[4-(methylamino)-2-oxo-1H-pyrimidin-6-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-[4-(methylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid is sourced from PubChem (CID 83864227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).