methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate

C7H9N3O3 — CID 137201096

IUPACmethyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCNc1nc(C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-7-9-4(6(12)13-2)3-5(11)10-7/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyXXTNSJLUIDISCG-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.40
Rot. Bonds2

About methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate

methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 137201096) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID137201096
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Namemethyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCNc1nc(C(=O)OC)cc(=O)[nH]1
InChIInChI=1S/C7H9N3O3/c1-8-7-9-4(6(12)13-2)3-5(11)10-7/h3H,1-2H3,(H2,8,9,10,11)
InChIKeyXXTNSJLUIDISCG-UHFFFAOYSA-N
XLogP-0.40
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate (CID 137201096) is methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate is CNc1nc(C(=O)OC)cc(=O)[nH]1.
What is the InChIKey of methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is XXTNSJLUIDISCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-7-9-4(6(12)13-2)3-5(11)10-7/h3H,1-2H3,(H2,8,9,10,11).
What are the key properties of methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate?
methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 183.17 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 137201096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).