3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one

C26H21Cl2N5OS — CID 138531144

IUPAC3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
SMILESCN(C)c1ccc(-c2ccc(Nc3ncc4c(n3)SCN(c3c(Cl)cccc3Cl)C4=O)cc2)cc1
InChIInChI=1S/C26H21Cl2N5OS/c1-32(2)19-12-8-17(9-13-19)16-6-10-18(11-7-16)30-26-29-14-20-24(31-26)35-15-33(25(20)34)23-21(27)4-3-5-22(23)28/h3-14H,15H2,1-2H3,(H,29,30,31)
InChIKeyWNFAFXJHGSZIJI-UHFFFAOYSA-N
MW522.46 g/mol
LogP6.97
Rot. Bonds5

About 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one

3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one (PubChem CID 138531144) has the molecular formula C26H21Cl2N5OS and a molecular weight of 522.46 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
PubChem CID138531144
Molecular FormulaC26H21Cl2N5OS
Molecular Weight522.46 g/mol
Exact Mass521.08
IUPAC Name3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
SMILESCN(C)c1ccc(-c2ccc(Nc3ncc4c(n3)SCN(c3c(Cl)cccc3Cl)C4=O)cc2)cc1
InChIInChI=1S/C26H21Cl2N5OS/c1-32(2)19-12-8-17(9-13-19)16-6-10-18(11-7-16)30-26-29-14-20-24(31-26)35-15-33(25(20)34)23-21(27)4-3-5-22(23)28/h3-14H,15H2,1-2H3,(H,29,30,31)
InChIKeyWNFAFXJHGSZIJI-UHFFFAOYSA-N
XLogP6.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.46
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one 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

3-(2,6-dichlorophenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138521494
3-(2,6-dichlorophenyl)-7-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138530926
3-(2,6-dichlorophenyl)-7-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 155709818
3-(2,6-dichlorophenyl)-7-[(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138521445
N-[5-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]thiazin-7-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]phenyl]acetamide
CID 138530860
3-(2,6-dichlorophenyl)-7-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138531457
3-(2,6-dichlorophenyl)-7-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-7-ylamino)-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138530924
7-[3-chloro-4-(piperazin-1-ylmethyl)anilino]-3-(2,6-dichlorophenyl)-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138531195
tert-butyl 4-[2-chloro-4-[[3-(2,6-dichlorophenyl)-4-oxo-2H-pyrimido[5,4-e][1,3]thiazin-7-yl]amino]phenyl]piperazine-1-carboxylate
CID 138521459
3-(2,6-dichlorophenyl)-7-[(2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138531057
3-(2-chloro-6-fluorophenyl)-7-[4-[4-(dimethylamino)piperidin-1-yl]-3-(hydroxymethyl)anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138531544
7-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-(2,6-dichlorophenyl)-2H-pyrimido[5,4-e][1,3]thiazin-4-one
CID 138531386

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one?
The IUPAC name of 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one (CID 138531144) is 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one?
The canonical SMILES for 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one is CN(C)c1ccc(-c2ccc(Nc3ncc4c(n3)SCN(c3c(Cl)cccc3Cl)C4=O)cc2)cc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one?
The InChIKey is WNFAFXJHGSZIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N5OS/c1-32(2)19-12-8-17(9-13-19)16-6-10-18(11-7-16)30-26-29-14-20-24(31-26)35-15-33(25(20)34)23-21(27)4-3-5-22(23)28/h3-14H,15H2,1-2H3,(H,29,30,31).
What are the key properties of 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one?
3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one has a molecular weight of 522.46 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-7-[4-[4-(dimethylamino)phenyl]anilino]-2H-pyrimido[5,4-e][1,3]thiazin-4-one is sourced from PubChem (CID 138531144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).