N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide

C9H13N3O2 — CID 110855207

IUPACN,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)9(14)7-5-10-6-11-8(7)13/h5-6H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyKDYQUSGVLGJUFB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.25
Rot. Bonds3

About N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide

N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110855207) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110855207
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-3-12(4-2)9(14)7-5-10-6-11-8(7)13/h5-6H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyKDYQUSGVLGJUFB-UHFFFAOYSA-N
XLogP0.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
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
2-(dimethylamino)-N,N-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 71220656
(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
CID 118490164
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110855207) is N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KDYQUSGVLGJUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-12(4-2)9(14)7-5-10-6-11-8(7)13/h5-6H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110855207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).