1-ethyl-6-oxopyrimidine-5-carboxamide

C7H9N3O2 — CID 155723614

IUPAC1-ethyl-6-oxopyrimidine-5-carboxamide
SMILESCCn1cncc(C(N)=O)c1=O
InChIInChI=1S/C7H9N3O2/c1-2-10-4-9-3-5(6(8)11)7(10)12/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyPPULQYPTHKXSKM-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.64
Rot. Bonds2

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

1-ethyl-6-oxopyrimidine-5-carboxamide (PubChem CID 155723614) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-ethyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxopyrimidine-5-carboxamide
PubChem CID155723614
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-ethyl-6-oxopyrimidine-5-carboxamide
SMILESCCn1cncc(C(N)=O)c1=O
InChIInChI=1S/C7H9N3O2/c1-2-10-4-9-3-5(6(8)11)7(10)12/h3-4H,2H2,1H3,(H2,8,11)
InChIKeyPPULQYPTHKXSKM-UHFFFAOYSA-N
XLogP-0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.64
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
3-Ethyl-5-methylpyrimidin-4-one
CID 89410488
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
2-Amino-3-ethyl-5-methylpyrimidin-4-one
CID 139520806
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
N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080911
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
1-ethyl-4H-pyrimidine-5-carboxamide
CID 145727088

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of 1-ethyl-6-oxopyrimidine-5-carboxamide (CID 155723614) is 1-ethyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for 1-ethyl-6-oxopyrimidine-5-carboxamide is CCn1cncc(C(N)=O)c1=O.
What is the InChIKey of 1-ethyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is PPULQYPTHKXSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-10-4-9-3-5(6(8)11)7(10)12/h3-4H,2H2,1H3,(H2,8,11).
What are the key properties of 1-ethyl-6-oxopyrimidine-5-carboxamide?
1-ethyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 155723614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).