3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine

C21H19N5O2S — CID 10341241

IUPAC3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine
SMILESCc1ccc(/N=c2\nc3ccc(C)cn3c(N)c2S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C21H19N5O2S/c1-14-8-10-17(23-12-14)24-21-19(29(27,28)16-6-4-3-5-7-16)20(22)26-13-15(2)9-11-18(26)25-21/h3-13H,22H2,1-2H3/b24-21-
InChIKeyUVRUHERKSPRLNG-FLFQWRMESA-N
MW405.48 g/mol
LogP2.99
Rot. Bonds3

About 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine

3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine (PubChem CID 10341241) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine
PubChem CID10341241
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine
SMILESCc1ccc(/N=c2\nc3ccc(C)cn3c(N)c2S(=O)(=O)c2ccccc2)nc1
InChIInChI=1S/C21H19N5O2S/c1-14-8-10-17(23-12-14)24-21-19(29(27,28)16-6-4-3-5-7-16)20(22)26-13-15(2)9-11-18(26)25-21/h3-13H,22H2,1-2H3/b24-21-
InChIKeyUVRUHERKSPRLNG-FLFQWRMESA-N
XLogP2.99
TPSA102.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Methylphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 735815
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
1-[(6-Aminopyridin-3-Yl)methyl]-3-[4-(Phenylsulfonyl)phenyl]urea
CID 66610926
N-(4-Methyl-2-pyridyl)benzenesulfonamide
CID 739341
N-[5-(trifluoromethyl)pyridin-2-yl]benzenesulfonamide
CID 2815858
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
Arylsulfonylpiperazine, 24
CID 44237027
1-{2-[(4-Fluorophenyl)sulfonyl]ethyl}-4-(2-pyridinyl)piperazine
CID 2810612
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4786643
1-benzyl-4,5-dimethyl-3-(2-pyridylsulfonyl)-1H-pyrrol-2-amine
CID 2744024
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956
3-(Benzenesulfonyl)-2-methylsulfanylpyrimido[1,2-h][1,7]naphthyridin-4-imine
CID 10091305

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine?
The IUPAC name of 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine (CID 10341241) is 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine?
The canonical SMILES for 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine is Cc1ccc(/N=c2\nc3ccc(C)cn3c(N)c2S(=O)(=O)c2ccccc2)nc1.
What is the InChIKey of 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine?
The InChIKey is UVRUHERKSPRLNG-FLFQWRMESA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-14-8-10-17(23-12-14)24-21-19(29(27,28)16-6-4-3-5-7-16)20(22)26-13-15(2)9-11-18(26)25-21/h3-13H,22H2,1-2H3/b24-21-.
What are the key properties of 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine?
3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine has a molecular weight of 405.48 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-7-methyl-2-[(5-methyl-2-pyridinyl)imino]pyrido[1,2-a]pyrimidin-4-amine is sourced from PubChem (CID 10341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).