N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide

C16H16N6O2 — CID 122303758

IUPACN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cn(C)nn1
InChIInChI=1S/C16H16N6O2/c1-10-14(19-15(23)13-9-22(3)21-20-13)11(2)18-16(17-10)24-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,23)
InChIKeySCFIIHXVWHQZHW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.27
Rot. Bonds4

About N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide

N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide (PubChem CID 122303758) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
PubChem CID122303758
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC NameN-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide
SMILESCc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cn(C)nn1
InChIInChI=1S/C16H16N6O2/c1-10-14(19-15(23)13-9-22(3)21-20-13)11(2)18-16(17-10)24-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,23)
InChIKeySCFIIHXVWHQZHW-UHFFFAOYSA-N
XLogP2.27
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356030
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 91969154
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356869
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3,4,5-trimethoxybenzamide
CID 122303589
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122303779
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-2-phenoxybenzamide
CID 122302706
1-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-3-(3-methylphenyl)urea
CID 122303627
1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
CID 122303902
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
CID 136716966
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide (CID 122303758) is N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide is Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cn(C)nn1.
What is the InChIKey of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
The InChIKey is SCFIIHXVWHQZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-10-14(19-15(23)13-9-22(3)21-20-13)11(2)18-16(17-10)24-12-7-5-4-6-8-12/h4-9H,1-3H3,(H,19,23).
What are the key properties of N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide?
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 122303758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).