methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate

C6H7N3O3 — CID 135408507

IUPACmethyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7N3O3/c1-12-5(11)3-2-4(10)9-6(7)8-3/h2H,1H3,(H3,7,8,9,10)
InChIKeyDRHLMNDFBCJNGA-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.86
Rot. Bonds1

About methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 135408507) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID135408507
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Namemethyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H7N3O3/c1-12-5(11)3-2-4(10)9-6(7)8-3/h2H,1H3,(H3,7,8,9,10)
InChIKeyDRHLMNDFBCJNGA-UHFFFAOYSA-N
XLogP-0.86
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate (CID 135408507) is methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate is COC(=O)c1cc(=O)[nH]c(N)n1.
What is the InChIKey of methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is DRHLMNDFBCJNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5(11)3-2-4(10)9-6(7)8-3/h2H,1H3,(H3,7,8,9,10).
What are the key properties of methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 169.14 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).