2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane

C42H53ClF6N12S2Sn — CID 157134679

IUPAC2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncs1.CNc1nc(Nc2cnc(-c3cncs3)cc2C)ncc1C(F)(F)F.CNc1nc(Nc2cnc(Cl)cc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H13F3N6S.C12H11ClF3N5.3C4H9.C3H2NS.Sn/c1-8-3-10(12-6-20-7-25-12)21-5-11(8)23-14-22-4-9(15(16,17)18)13(19-2)24-14;1-6-3-9(13)18-5-8(6)20-11-19-4-7(12(14,15)16)10(17-2)21-11;3*1-3-4-2;1-2-5-3-4-1;/h3-7H,1-2H3,(H2,19,22,23,24);3-5H,1-2H3,(H2,17,19,20,21);3*1,3-4H2,2H3;1,3H;
InChIKeyAJMHGSJXMTYKCQ-UHFFFAOYSA-N
MW1058.26 g/mol
LogP12.94
Rot. Bonds17

About 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane

2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane (PubChem CID 157134679) has the molecular formula C42H53ClF6N12S2Sn and a molecular weight of 1058.26 g/mol. Its IUPAC name is 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane.

Molecular Properties

Compound Name2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane
PubChem CID157134679
Molecular FormulaC42H53ClF6N12S2Sn
Molecular Weight1058.26 g/mol
Exact Mass1058.26
IUPAC Name2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cncs1.CNc1nc(Nc2cnc(-c3cncs3)cc2C)ncc1C(F)(F)F.CNc1nc(Nc2cnc(Cl)cc2C)ncc1C(F)(F)F
InChIInChI=1S/C15H13F3N6S.C12H11ClF3N5.3C4H9.C3H2NS.Sn/c1-8-3-10(12-6-20-7-25-12)21-5-11(8)23-14-22-4-9(15(16,17)18)13(19-2)24-14;1-6-3-9(13)18-5-8(6)20-11-19-4-7(12(14,15)16)10(17-2)21-11;3*1-3-4-2;1-2-5-3-4-1;/h3-7H,1-2H3,(H2,19,22,23,24);3-5H,1-2H3,(H2,17,19,20,21);3*1,3-4H2,2H3;1,3H;
InChIKeyAJMHGSJXMTYKCQ-UHFFFAOYSA-N
XLogP12.94
TPSA151.24 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.26
LogP ≤ 512.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane 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

5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazol-5-amine
CID 11221649
1-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylphenyl]-3-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethyl]thiourea
CID 25116183
5-[6-(2-chloro-4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methylamino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 58688605
1-[4-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]-1-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethyl]thiourea
CID 87433707
4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)pyridin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 89638755
N-(7-chloro-2-methyl-1,8-naphthyridin-4-yl)-2-(1,1-difluoroethyl)-1,3-thiazol-5-amine
CID 143045052
5-[3-chloro-6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-2-piperidin-4-yl-1,3-thiazole
CID 146611678
5-[3-chloro-6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-2-piperazin-1-yl-1,3-thiazole
CID 146611679
2-[2-[[2-chloro-5-(2-methyl-3H-pyrrol-4-yl)thiophen-3-yl]methylamino]ethyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 148001854
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157099121
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-(2,2-difluoroethyl)ethanimidamide;2-pyridin-3-yl-5-(6-pyrimidin-2-ylpyridin-2-yl)-1,3-thiazole
CID 157303002

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane?
The IUPAC name of 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane (CID 157134679) is 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane.
What is the SMILES notation for 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane?
The canonical SMILES for 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1cncs1.CNc1nc(Nc2cnc(-c3cncs3)cc2C)ncc1C(F)(F)F.CNc1nc(Nc2cnc(Cl)cc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane?
The InChIKey is AJMHGSJXMTYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6S.C12H11ClF3N5.3C4H9.C3H2NS.Sn/c1-8-3-10(12-6-20-7-25-12)21-5-11(8)23-14-22-4-9(15(16,17)18)13(19-2)24-14;1-6-3-9(13)18-5-8(6)20-11-19-4-7(12(14,15)16)10(17-2)21-11;3*1-3-4-2;1-2-5-3-4-1;/h3-7H,1-2H3,(H2,19,22,23,24);3-5H,1-2H3,(H2,17,19,20,21);3*1,3-4H2,2H3;1,3H;.
What are the key properties of 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane?
2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane has a molecular weight of 1058.26 g/mol, XLogP of 12.94, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-chloro-4-methyl-3-pyridinyl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4-N-methyl-2-N-[4-methyl-6-(1,3-thiazol-5-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;tributyl(1,3-thiazol-5-yl)stannane is sourced from PubChem (CID 157134679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).