N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide

C7H9N3O2 — CID 70657681

IUPACN,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O2/c1-4-3-5(6(11)8-2)10-7(12)9-4/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyDTDUEBXVIABWJO-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.56
Rot. Bonds1

About N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide

N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 70657681) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID70657681
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C7H9N3O2/c1-4-3-5(6(11)8-2)10-7(12)9-4/h3H,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyDTDUEBXVIABWJO-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

N-butyl-N-ethyl-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 71895239
N-imino-6-methyl-1,2-dihydropyrimidine-4-carboxamide
CID 118486710
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-methylbut-3-enamide
CID 121329879
(Z)-N-ethyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330197
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-propylbut-3-enamide
CID 121330203
(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330300
(Z)-N-propyl-4-(2,4,6-trimethyl-2H-pyrimidin-1-yl)but-3-enamide
CID 121330313
(Z)-4-(4,6-dimethyl-2H-pyrimidin-1-yl)-N-ethylbut-3-enamide
CID 121330327
N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide
CID 129258520
N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide
CID 129301507
ethane;N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]acetamide
CID 145341894
2-methyl-N-[2-(2-oxo-1H-pyrimidin-6-yl)ethyl]propanamide
CID 146521657

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 70657681) is N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide is CNC(=O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is DTDUEBXVIABWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-3-5(6(11)8-2)10-7(12)9-4/h3H,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of N,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide?
N,6-dimethyl-2-oxo-1H-pyrimidine-4-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,6-dimethyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 70657681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).