N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide

C12H16N6O2 — CID 122356030

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cn(C)nn2)c(C)n1
InChIInChI=1S/C12H16N6O2/c1-5-20-12-13-7(2)10(8(3)14-12)15-11(19)9-6-18(4)17-16-9/h6H,5H2,1-4H3,(H,15,19)
InChIKeyCNWCLZKEKVTPKY-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.87
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide (PubChem CID 122356030) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
PubChem CID122356030
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCCOc1nc(C)c(NC(=O)c2cn(C)nn2)c(C)n1
InChIInChI=1S/C12H16N6O2/c1-5-20-12-13-7(2)10(8(3)14-12)15-11(19)9-6-18(4)17-16-9/h6H,5H2,1-4H3,(H,15,19)
InChIKeyCNWCLZKEKVTPKY-UHFFFAOYSA-N
XLogP0.87
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122303758
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122355973
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356086
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,5-dinitrobenzamide
CID 122356187
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 122355959

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide (CID 122356030) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide is CCOc1nc(C)c(NC(=O)c2cn(C)nn2)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The InChIKey is CNWCLZKEKVTPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-5-20-12-13-7(2)10(8(3)14-12)15-11(19)9-6-18(4)17-16-9/h6H,5H2,1-4H3,(H,15,19).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide has a molecular weight of 276.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122356030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).