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

C69H57ClF3N19OS4 — CID 159951886

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)pyrazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)s1.Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C22H19N5S.C18H13F3N6S.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;1-11-10-23-16(28-11)14-6-8-22-17(25-14)24-12-2-4-13(5-3-12)27-9-7-15(26-27)18(19,20)21;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);2-10H,1H3,(H,22,24,25);3-9H,1-2H3,(H,16,18,19);2-8H,1H3,(H,16,18,19)
InChIKeyOCFKRSIGYMYYCP-UHFFFAOYSA-N
MW1389.06 g/mol
LogP18.60
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)pyrazol-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)pyrazol-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 159951886) has the molecular formula C69H57ClF3N19OS4 and a molecular weight of 1389.06 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)pyrazol-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)pyrazol-1-yl]phenyl]pyrimidin-2-amine
PubChem CID159951886
Molecular FormulaC69H57ClF3N19OS4
Molecular Weight1389.06 g/mol
Exact Mass1387.35
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)pyrazol-1-yl]phenyl]pyrimidin-2-amine
SMILESCCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4ccc(C(F)(F)F)n4)cc3)n2)s1.Cc1cnc(-c2ccnc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C22H19N5S.C18H13F3N6S.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;1-11-10-23-16(28-11)14-6-8-22-17(25-14)24-12-2-4-13(5-3-12)27-9-7-15(26-27)18(19,20)21;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);2-10H,1H3,(H,22,24,25);3-9H,1-2H3,(H,16,18,19);2-8H,1H3,(H,16,18,19)
InChIKeyOCFKRSIGYMYYCP-UHFFFAOYSA-N
XLogP18.60
TPSA234.78 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001389.06
LogP ≤ 518.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

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)pyrazol-1-yl]phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

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
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-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
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
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(difluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 161488486

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)pyrazol-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)pyrazol-1-yl]phenyl]pyrimidin-2-amine (CID 159951886) 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)pyrazol-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)pyrazol-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)pyrazol-1-yl]phenyl]pyrimidin-2-amine is CCn1c2ccccc2c2cc(Nc3nccc(-c4ncc(C)s4)n3)ccc21.COc1cccc(Nc2nccc(-c3ncc(C)s3)n2)c1.Cc1cnc(-c2ccnc(Nc3ccc(-n4ccc(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)pyrazol-1-yl]phenyl]pyrimidin-2-amine?
The InChIKey is OCFKRSIGYMYYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S.C18H13F3N6S.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;1-11-10-23-16(28-11)14-6-8-22-17(25-14)24-12-2-4-13(5-3-12)27-9-7-15(26-27)18(19,20)21;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);2-10H,1H3,(H,22,24,25);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)pyrazol-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)pyrazol-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1389.06 g/mol, XLogP of 18.60, 15 rotatable bonds, 4 hydrogen bond donors, and 24 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)pyrazol-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159951886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).