N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

C68H56ClF3N20OS4 — CID 158365475

IUPACN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)s1.Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C22H19N5S.C17H12F3N7S.C15H14N4OS.C14H11ClN4S/c1-3-27-19-7-5-4-6-16(19)17-12-15(8-9-20(17)27)25-22-23-11-10-18(26-22)21-24-13-14(2)28-21;1-10-8-22-14(28-10)13-6-7-21-16(25-13)24-11-2-4-12(5-3-11)27-9-23-15(26-27)17(18,19)20;1-10-9-17-14(21-10)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20-2;1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h4-13H,3H2,1-2H3,(H,23,25,26);2-9H,1H3,(H,21,24,25);3-9H,1-2H3,(H,16,18,19);2-8H,1H3,(H,16,18,19)
InChIKeyGTZBATSKENRWJW-UHFFFAOYSA-N
MW1390.05 g/mol
LogP18.00
Rot. Bonds15

About N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 158365475) has the molecular formula C68H56ClF3N20OS4 and a molecular weight of 1390.05 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
PubChem CID158365475
Molecular FormulaC68H56ClF3N20OS4
Molecular Weight1390.05 g/mol
Exact Mass1388.35
IUPAC NameN-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)s1.Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C22H19N5S.C17H12F3N7S.C15H14N4OS.C14H11ClN4S/c1-3-27-19-7-5-4-6-16(19)17-12-15(8-9-20(17)27)25-22-23-11-10-18(26-22)21-24-13-14(2)28-21;1-10-8-22-14(28-10)13-6-7-21-16(25-13)24-11-2-4-12(5-3-11)27-9-23-15(26-27)17(18,19)20;1-10-9-17-14(21-10)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20-2;1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h4-13H,3H2,1-2H3,(H,23,25,26);2-9H,1H3,(H,21,24,25);3-9H,1-2H3,(H,16,18,19);2-8H,1H3,(H,16,18,19)
InChIKeyGTZBATSKENRWJW-UHFFFAOYSA-N
XLogP18.00
TPSA247.67 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.05
LogP ≤ 518.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-(6-chloro-2-pyridinyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-iodophenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine;4-(1,3-thiazol-2-yl)-N-[3-[3-(trifluoromethyl)phenyl]phenyl]pyrimidin-2-amine
CID 159422338
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine
CID 159553699
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]pyrimidin-2-amine
CID 159951886
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine
CID 159955037
N-benzyl-5-(1-methyl-3-phenylpyrazol-5-yl)pyridin-2-amine;N-[(2-chlorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2-chlorophenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine;N-[(2,6-difluorophenyl)methyl]-5-[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-(1-methyl-4-phenylpyrrol-2-yl)pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazin-2-amine;methane
CID 160105621
2-N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(5-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-phenoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 160198471
2-N-(3-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-isoquinolin-5-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxyphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-6-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 157748910
2-N-(4-chlorophenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(2-pyridin-2-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(pyridin-4-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 158650544
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-indazol-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 159330676
1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(3-pyridin-2-ylpyrazolo[5,4-b]pyridin-1-yl)ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)piperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone;1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 160084154
CID 161044195
CID 161044195
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(3-methoxy-5-phenylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 161360594

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (CID 158365475) is N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is CCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)s1.Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
The InChIKey is GTZBATSKENRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S.C17H12F3N7S.C15H14N4OS.C14H11ClN4S/c1-3-27-19-7-5-4-6-16(19)17-12-15(8-9-20(17)27)25-22-23-11-10-18(26-22)21-24-13-14(2)28-21;1-10-8-22-14(28-10)13-6-7-21-16(25-13)24-11-2-4-12(5-3-11)27-9-23-15(26-27)17(18,19)20;1-10-9-17-14(21-10)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20-2;1-9-8-17-13(20-9)12-6-7-16-14(19-12)18-11-4-2-10(15)3-5-11/h4-13H,3H2,1-2H3,(H,23,25,26);2-9H,1H3,(H,21,24,25);3-9H,1-2H3,(H,16,18,19);2-8H,1H3,(H,16,18,19).
What are the key properties of N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1390.05 g/mol, XLogP of 18.00, 15 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;9-ethyl-N-[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]carbazol-3-amine;N-(3-methoxyphenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine;4-(5-methyl-1,3-thiazol-2-yl)-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158365475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).