1,2-Dimethyl-6-oxopyrimidine-5-carboxamide

C7H9N3O2 — CID 129935352

IUPAC1,2-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCC1=NC=C(C(=O)N1C)C(=O)N
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(6(8)11)7(12)10(4)2/h3H,1-2H3,(H2,8,11)
InChIKeyYUBOKUJLWWEJST-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.90
Rot. Bonds1

About 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide

1,2-Dimethyl-6-oxopyrimidine-5-carboxamide (PubChem CID 129935352) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,2-dimethyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
PubChem CID129935352
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1,2-dimethyl-6-oxopyrimidine-5-carboxamide
SMILESCC1=NC=C(C(=O)N1C)C(=O)N
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(6(8)11)7(12)10(4)2/h3H,1-2H3,(H2,8,11)
InChIKeyYUBOKUJLWWEJST-UHFFFAOYSA-N
XLogP-0.90
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity304

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
3-Carbamoyl-4-oxo-4,6,7,8,9,10-hexahydro-pyrimido[1,2-a]azepine
CID 12210260
3-Carbamoyl-4-oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidine
CID 20438499
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2,3,5-Trimethylpyrimidin-4-one
CID 59134427
2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
1-Methyl-6-oxopyrimidine-5-carboxamide
CID 141080907
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
1,2-Dimethyl-6-oxopyrimidine-5-carbaldehyde;ethane
CID 141822443

Frequently Asked Questions

What is the IUPAC name of 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide (CID 129935352) is 1,2-dimethyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide is CC1=NC=C(C(=O)N1C)C(=O)N.
What is the InChIKey of 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is YUBOKUJLWWEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-9-3-5(6(8)11)7(12)10(4)2/h3H,1-2H3,(H2,8,11).
What are the key properties of 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide?
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-Dimethyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 129935352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).