3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide

C14H14N8O — CID 71700893

IUPAC3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)Nc3nn[nH]n3)c2)n1
InChIInChI=1S/C14H14N8O/c1-8-6-9(2)16-13(15-8)17-11-5-3-4-10(7-11)12(23)18-14-19-21-22-20-14/h3-7H,1-2H3,(H,15,16,17)(H2,18,19,20,21,22,23)
InChIKeyZBCGPRGFMIPGQG-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.60
Rot. Bonds4

About 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 71700893) has the molecular formula C14H14N8O and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID71700893
Molecular FormulaC14H14N8O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)Nc3nn[nH]n3)c2)n1
InChIInChI=1S/C14H14N8O/c1-8-6-9(2)16-13(15-8)17-11-5-3-4-10(7-11)12(23)18-14-19-21-22-20-14/h3-7H,1-2H3,(H,15,16,17)(H2,18,19,20,21,22,23)
InChIKeyZBCGPRGFMIPGQG-UHFFFAOYSA-N
XLogP1.60
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2,4,6-trichlorophenyl)benzamide
CID 108792603
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 108804643
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108804701
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131
3-bromo-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]benzamide
CID 108765874
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
2-[3-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-hydroxyphenyl]acetic acid
CID 108741746
ethyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108792456
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715
CID 70476554
CID 70476554
N-[(2-chlorophenyl)methyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792460
methyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108804689

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide (CID 71700893) is 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide is Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nn[nH]n3)c2)n1.
What is the InChIKey of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is ZBCGPRGFMIPGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N8O/c1-8-6-9(2)16-13(15-8)17-11-5-3-4-10(7-11)12(23)18-14-19-21-22-20-14/h3-7H,1-2H3,(H,15,16,17)(H2,18,19,20,21,22,23).
What are the key properties of 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide?
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 310.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 71700893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).