5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine

C29H25ClN4S — CID 108779643

IUPAC5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccc(Cl)cc2)c(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)n1
InChIInChI=1S/C29H25ClN4S/c1-18-6-4-5-7-25(18)29-34-27(17-35-29)22-10-14-24(15-11-22)33-28-26(19(2)31-20(3)32-28)16-21-8-12-23(30)13-9-21/h4-15,17H,16H2,1-3H3,(H,31,32,33)
InChIKeyLZJIWCFXADUDPE-UHFFFAOYSA-N
MW497.07 g/mol
LogP8.18
Rot. Bonds6

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

5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine (PubChem CID 108779643) has the molecular formula C29H25ClN4S and a molecular weight of 497.07 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
PubChem CID108779643
Molecular FormulaC29H25ClN4S
Molecular Weight497.07 g/mol
Exact Mass496.15
IUPAC Name5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccc(Cl)cc2)c(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)n1
InChIInChI=1S/C29H25ClN4S/c1-18-6-4-5-7-25(18)29-34-27(17-35-29)22-10-14-24(15-11-22)33-28-26(19(2)31-20(3)32-28)16-21-8-12-23(30)13-9-21/h4-15,17H,16H2,1-3H3,(H,31,32,33)
InChIKeyLZJIWCFXADUDPE-UHFFFAOYSA-N
XLogP8.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.07
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772072
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779589
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811
2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779624
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
CID 108779606
N-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108777792
N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777928
2-[[5-[[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]amino]-1,3,4-thiadiazol-2-yl]methyl]isoindole-1,3-dione
CID 108773866
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773237

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine (CID 108779643) is 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine is Cc1nc(C)c(Cc2ccc(Cl)cc2)c(Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)n1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
The InChIKey is LZJIWCFXADUDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN4S/c1-18-6-4-5-7-25(18)29-34-27(17-35-29)22-10-14-24(15-11-22)33-28-26(19(2)31-20(3)32-28)16-21-8-12-23(30)13-9-21/h4-15,17H,16H2,1-3H3,(H,31,32,33).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine?
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine has a molecular weight of 497.07 g/mol, XLogP of 8.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).