N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide

C8H11N3O2 — CID 141080908

IUPACN-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C8H11N3O2/c1-3-10-7(12)6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyQVIJTDBPVTYLEW-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.47
Rot. Bonds2

About N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide

N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 141080908) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID141080908
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C8H11N3O2/c1-3-10-7(12)6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyQVIJTDBPVTYLEW-UHFFFAOYSA-N
XLogP-0.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
1-Methyl-6-oxopyrimidine-5-carboxamide
CID 141080907
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080911
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide (CID 141080908) is N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide is CCNC(=O)c1cncn(C)c1=O.
What is the InChIKey of N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is QVIJTDBPVTYLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-10-7(12)6-4-9-5-11(2)8(6)13/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide?
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 141080908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).