N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

C9H12N4O3 — CID 141080913

IUPACN-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCC(=O)NCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C9H12N4O3/c1-6(14)11-4-12-8(15)7-3-10-5-13(2)9(7)16/h3,5H,4H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyICMYNQNDDLWEDJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.40
Rot. Bonds3

About N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 141080913) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID141080913
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCC(=O)NCNC(=O)c1cncn(C)c1=O
InChIInChI=1S/C9H12N4O3/c1-6(14)11-4-12-8(15)7-3-10-5-13(2)9(7)16/h3,5H,4H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyICMYNQNDDLWEDJ-UHFFFAOYSA-N
XLogP-1.40
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
CID 378985
2-[(Dimethylamino)methyleneamino]-5-methylpyrimidin-4-one
CID 100976562
N,N-dimethyl-N'-(5-methyl-6-oxo-1H-pyrimidin-2-yl)methanimidamide
CID 15451604
2-(dimethylamino)-N,N-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 71220656
2-(dimethylamino)-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 71220687
1,5-Dimethylpyrimidine-2,4-dione;1-methyl-4-(methylamino)-1,3,5-triazin-2-one
CID 91373032
2-[3-Aminopropyl(methyl)amino]-3,5-dimethylpyrimidin-4-one
CID 118489722
2-[ethyl(methyl)amino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 129933164
1,6-Dihydro-1-methyl-2-[(1-methylethyl)amino]-5-pyrimidinecarboxamide
CID 135727044
7-(dimethylamino)-3-methyl-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
CID 137003193
5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxamide
CID 138489583
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908

Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (CID 141080913) is N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is CC(=O)NCNC(=O)c1cncn(C)c1=O.
What is the InChIKey of N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is ICMYNQNDDLWEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6(14)11-4-12-8(15)7-3-10-5-13(2)9(7)16/h3,5H,4H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 141080913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).