N,1-dimethyl-6-oxopyrimidine-5-carboxamide

C7H9N3O2 — CID 141080909

IUPACN,1-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C7H9N3O2/c1-8-6(11)5-3-9-4-10(2)7(5)12/h3-4H,1-2H3,(H,8,11)
InChIKeyYPHZYYQJZXCVDG-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.86
Rot. Bonds1

About N,1-dimethyl-6-oxopyrimidine-5-carboxamide

N,1-dimethyl-6-oxopyrimidine-5-carboxamide (PubChem CID 141080909) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N,1-dimethyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-6-oxopyrimidine-5-carboxamide
PubChem CID141080909
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN,1-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C7H9N3O2/c1-8-6(11)5-3-9-4-10(2)7(5)12/h3-4H,1-2H3,(H,8,11)
InChIKeyYPHZYYQJZXCVDG-UHFFFAOYSA-N
XLogP-0.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-oxo-1-phenylpyrimidine-5-carboxamide
CID 143596490
1-(4-fluorophenyl)-N-methyl-6-oxopyrimidine-5-carboxamide
CID 143536437
N'-hydroxy-1-methyl-6-oxopyrimidine-5-carboximidamide
CID 83873713
2-(dimethylamino)-N-methyl-2-(3-methylimidazol-4-yl)acetamide
CID 146125345
2-(1-methyl-6-oxopyrimidin-5-yl)acetic acid
CID 83873702
4,5-dichloro-N-methylpyridine-3-carboxamide
CID 129011418
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
N,1,6-trimethyl-2-oxopyridine-3-carboxamide
CID 131179511
1-methyl-6-oxopyrimidine-5-carbaldehyde
CID 83872265
[4-methyl-5-(methylcarbamoyl)-3-pyridinyl]boronic acid
CID 140921059
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
N-methyl-4-[(3-methylimidazol-4-yl)sulfonylmethyl]benzamide
CID 167830776

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N,1-dimethyl-6-oxopyrimidine-5-carboxamide (CID 141080909) is N,1-dimethyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N,1-dimethyl-6-oxopyrimidine-5-carboxamide is CNC(=O)c1cncn(C)c1=O.
What is the InChIKey of N,1-dimethyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is YPHZYYQJZXCVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-8-6(11)5-3-9-4-10(2)7(5)12/h3-4H,1-2H3,(H,8,11).
What are the key properties of N,1-dimethyl-6-oxopyrimidine-5-carboxamide?
N,1-dimethyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 141080909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).