N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C8H11N3O2 — CID 127010939

IUPACN-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-3-9-7(12)6-4-5(2)10-8(13)11-6/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyTZLUIMBODSWBQD-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.17
Rot. Bonds2

About N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide

N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 127010939) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID127010939
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCCNC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-3-9-7(12)6-4-5(2)10-8(13)11-6/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyTZLUIMBODSWBQD-UHFFFAOYSA-N
XLogP-0.17
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 127010939) is N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is CCNC(=O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is TZLUIMBODSWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-9-7(12)6-4-5(2)10-8(13)11-6/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13).
What are the key properties of N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 127010939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).