2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide

C19H16N6OS — CID 74247903

IUPAC2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHQHVCQKHWGYEKH-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.00
Rot. Bonds4

About 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide

2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 74247903) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
PubChem CID74247903
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
SMILESCN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyHQHVCQKHWGYEKH-UHFFFAOYSA-N
XLogP3.00
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 74238358
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 74248399
N-benzyl-4-(dimethylamino)-N-methyl-2-phenylpyrimidine-5-carboxamide
CID 42670152
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 97140124
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N,4-dimethyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74233605
N-(2,1,3-benzothiadiazol-5-ylmethyl)-6-(2-hydroxyethyl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 119074020
4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 10222448
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-[(2R)-3-methylbutan-2-yl]urea
CID 121497601
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 142667584
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423596
(2R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-ethoxy-N-methylpropanamide
CID 126423595
1-(2,1,3-benzothiadiazol-5-ylmethyl)-1-methyl-3-(1-propylcyclopropyl)urea
CID 122568541

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide (CID 74247903) is 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide is CN(Cc1ccc2nsnc2c1)C(=O)c1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is HQHVCQKHWGYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-25(11-12-7-8-15-16(9-12)24-27-23-15)18(26)14-10-21-19(20)22-17(14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide?
2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 74247903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).