2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

C24H24N4S — CID 108771421

IUPAC2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NCCc3ccc(-c4csc(C)n4)cc3)nc(C)n2)cc1
InChIInChI=1S/C24H24N4S/c1-16-4-8-20(9-5-16)22-14-24(27-17(2)26-22)25-13-12-19-6-10-21(11-7-19)23-15-29-18(3)28-23/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,27)
InChIKeyYDMJETAHBQYKJM-UHFFFAOYSA-N
MW400.55 g/mol
LogP5.85
Rot. Bonds6

About 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine

2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (PubChem CID 108771421) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
PubChem CID108771421
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC Name2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NCCc3ccc(-c4csc(C)n4)cc3)nc(C)n2)cc1
InChIInChI=1S/C24H24N4S/c1-16-4-8-20(9-5-16)22-14-24(27-17(2)26-22)25-13-12-19-6-10-21(11-7-19)23-15-29-18(3)28-23/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,27)
InChIKeyYDMJETAHBQYKJM-UHFFFAOYSA-N
XLogP5.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 108771426
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
CID 174868608
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
3-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]quinoxalin-2-amine
CID 108771451
4-(4-ethylphenyl)-2-methyl-1,3-thiazole
CID 19240269
5-(4-methylpiperazin-1-yl)sulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyridin-2-amine
CID 55433927
3-chloro-2,2-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108749621
2,4-dichloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 108725447
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
CID 134048772
(2S)-2-amino-3,3-dimethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837217
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
4-ethyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 16568166

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine (CID 108771421) is 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is Cc1ccc(-c2cc(NCCc3ccc(-c4csc(C)n4)cc3)nc(C)n2)cc1.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
The InChIKey is YDMJETAHBQYKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-16-4-8-20(9-5-16)22-14-24(27-17(2)26-22)25-13-12-19-6-10-21(11-7-19)23-15-29-18(3)28-23/h4-11,14-15H,12-13H2,1-3H3,(H,25,26,27).
What are the key properties of 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine?
2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine has a molecular weight of 400.55 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 108771421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).