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

C22H20N4S — CID 108775741

IUPAC6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
SMILESCc1ccc(-c2csc(-c3ccc(CNc4cc(C)ncn4)cc3)n2)cc1
InChIInChI=1S/C22H20N4S/c1-15-3-7-18(8-4-15)20-13-27-22(26-20)19-9-5-17(6-10-19)12-23-21-11-16(2)24-14-25-21/h3-11,13-14H,12H2,1-2H3,(H,23,24,25)
InChIKeyFUDBOSCYSHIABO-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.50
Rot. Bonds5

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

6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine (PubChem CID 108775741) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
PubChem CID108775741
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
SMILESCc1ccc(-c2csc(-c3ccc(CNc4cc(C)ncn4)cc3)n2)cc1
InChIInChI=1S/C22H20N4S/c1-15-3-7-18(8-4-15)20-13-27-22(26-20)19-9-5-17(6-10-19)12-23-21-11-16(2)24-14-25-21/h3-11,13-14H,12H2,1-2H3,(H,23,24,25)
InChIKeyFUDBOSCYSHIABO-UHFFFAOYSA-N
XLogP5.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36
CID 6539301
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562
2-Methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662932
2,6-Difluoro-N-{2-fluoro-3-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 57989641
2,6-Difluoro-N-{3-[2-(1-methylethyl)-5-(2-{[2-(methylsulfonyl)ethyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 57989894
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine (CID 108775741) is 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine is Cc1ccc(-c2csc(-c3ccc(CNc4cc(C)ncn4)cc3)n2)cc1.
What is the InChIKey of 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
The InChIKey is FUDBOSCYSHIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-15-3-7-18(8-4-15)20-13-27-22(26-20)19-9-5-17(6-10-19)12-23-21-11-16(2)24-14-25-21/h3-11,13-14H,12H2,1-2H3,(H,23,24,25).
What are the key properties of 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine?
6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine has a molecular weight of 372.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 108775741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).