N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C7H9N3O2 — CID 50989028

IUPACN,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(6(11)8-2)7(12)10-4/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyCLUYKDHIMYCZND-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.56
Rot. Bonds1

About N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 50989028) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID50989028
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C)[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-4-9-3-5(6(11)8-2)7(12)10-4/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyCLUYKDHIMYCZND-UHFFFAOYSA-N
XLogP-0.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
2,5-Dimethylpyrimidin-4-ol
CID 242454
3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
2-Tert-butyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 70787534
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
4-Hydroxy-2-methylpyrimidine-5-carboxamide
CID 53426734
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2,5-dimethyl-1H-pyrimidin-6-one;hydrochloride
CID 70283115
2-Methyl-1,4-dihydropyrimidine-5-carboxamide
CID 123440745
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 50989028) is N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is CNC(=O)c1cnc(C)[nH]c1=O.
What is the InChIKey of N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CLUYKDHIMYCZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-9-3-5(6(11)8-2)7(12)10-4/h3H,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 50989028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).