5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

C27H23N5S — CID 108779811

IUPAC5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2cccc(-c3csc(-c4cccnc4)n3)c2)n1
InChIInChI=1S/C27H23N5S/c1-18-24(14-20-8-4-3-5-9-20)26(30-19(2)29-18)31-23-12-6-10-21(15-23)25-17-33-27(32-25)22-11-7-13-28-16-22/h3-13,15-17H,14H2,1-2H3,(H,29,30,31)
InChIKeyJCSQJRHXNLOOTM-UHFFFAOYSA-N
MW449.58 g/mol
LogP6.61
Rot. Bonds6

About 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 108779811) has the molecular formula C27H23N5S and a molecular weight of 449.58 g/mol. Its IUPAC name is 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID108779811
Molecular FormulaC27H23N5S
Molecular Weight449.58 g/mol
Exact Mass449.17
IUPAC Name5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(Nc2cccc(-c3csc(-c4cccnc4)n3)c2)n1
InChIInChI=1S/C27H23N5S/c1-18-24(14-20-8-4-3-5-9-20)26(30-19(2)29-18)31-23-12-6-10-21(15-23)25-17-33-27(32-25)22-11-7-13-28-16-22/h3-13,15-17H,14H2,1-2H3,(H,29,30,31)
InChIKeyJCSQJRHXNLOOTM-UHFFFAOYSA-N
XLogP6.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.58
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]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

6-phenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779791
1-ethyl-3-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]thiourea
CID 108784263
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
N-methyl-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
CID 116965446
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
6-chloro-5-nitro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779825
2,3-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]quinoxaline-6-carboxamide
CID 108770555
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
2,2-dimethyl-5-[[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168539982
(Z)-2,3-diphenyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108770511

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 108779811) is 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is Cc1nc(C)c(Cc2ccccc2)c(Nc2cccc(-c3csc(-c4cccnc4)n3)c2)n1.
What is the InChIKey of 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is JCSQJRHXNLOOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5S/c1-18-24(14-20-8-4-3-5-9-20)26(30-19(2)29-18)31-23-12-6-10-21(15-23)25-17-33-27(32-25)22-11-7-13-28-16-22/h3-13,15-17H,14H2,1-2H3,(H,29,30,31).
What are the key properties of 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 449.58 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).