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

C30H28N4S — CID 108779589

IUPAC2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1
InChIInChI=1S/C30H28N4S/c1-19-10-12-23(13-11-19)18-27-20(2)31-22(4)32-29(27)33-26-16-14-24(15-17-26)28-21(3)35-30(34-28)25-8-6-5-7-9-25/h5-17H,18H2,1-4H3,(H,31,32,33)
InChIKeyXNEYCBUOWVINOY-UHFFFAOYSA-N
MW476.65 g/mol
LogP7.84
Rot. Bonds6

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

2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 108779589) has the molecular formula C30H28N4S and a molecular weight of 476.65 g/mol. Its IUPAC name is 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID108779589
Molecular FormulaC30H28N4S
Molecular Weight476.65 g/mol
Exact Mass476.20
IUPAC Name2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1ccc(Cc2c(C)nc(C)nc2Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1
InChIInChI=1S/C30H28N4S/c1-19-10-12-23(13-11-19)18-27-20(2)31-22(4)32-29(27)33-26-16-14-24(15-17-26)28-21(3)35-30(34-28)25-8-6-5-7-9-25/h5-17H,18H2,1-4H3,(H,31,32,33)
InChIKeyXNEYCBUOWVINOY-UHFFFAOYSA-N
XLogP7.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.65
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
2-(4-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazole
CID 3617286
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108772072
4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
4-N-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1-N-(6-methylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773997
5-benzyl-2,6-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773237
2-[[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774428
5-methyl-2-phenyl-4-(4-prop-2-ynylphenyl)-1,3-thiazole
CID 59871677
5-benzyl-N-(4-methoxyphenyl)-6-methyl-2-phenylpyrimidin-4-amine
CID 23605395
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777928
5-benzyl-2,6-dimethyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 108779811

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 108779589) is 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is Cc1ccc(Cc2c(C)nc(C)nc2Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1.
What is the InChIKey of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is XNEYCBUOWVINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4S/c1-19-10-12-23(13-11-19)18-27-20(2)31-22(4)32-29(27)33-26-16-14-24(15-17-26)28-21(3)35-30(34-28)25-8-6-5-7-9-25/h5-17H,18H2,1-4H3,(H,31,32,33).
What are the key properties of 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 476.65 g/mol, XLogP of 7.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[(4-methylphenyl)methyl]-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108779589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).