[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine

C66H53Cl5F6N14 — CID 159979081

IUPAC[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine
SMILESCc1cccc2cc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2cc(CNc3nc(N)ncc3C(F)(F)F)c(-c3ccccc3Cl)nc12.Cc1cnc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)nc1N.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C22H17ClF3N5.C22H20ClN5.C17H15ClN2.C5HCl2F3N2/c1-12-5-4-6-13-9-14(19(30-18(12)13)15-7-2-3-8-17(15)23)10-28-20-16(22(24,25)26)11-29-21(27)31-20;1-13-6-5-7-15-10-16(12-26-22-25-11-14(2)21(24)28-22)20(27-19(13)15)17-8-3-4-9-18(17)23;1-11-5-4-6-12-9-13(10-19)17(20-16(11)12)14-7-2-3-8-15(14)18;6-3-2(5(8,9)10)1-11-4(7)12-3/h2-9,11H,10H2,1H3,(H3,27,28,29,31);3-11H,12H2,1-2H3,(H3,24,25,26,28);2-9H,10,19H2,1H3;1H
InChIKeyOFNKXFTWOYHCMW-UHFFFAOYSA-N
MW1333.50 g/mol
LogP18.15
Rot. Bonds10

About [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine

[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine (PubChem CID 159979081) has the molecular formula C66H53Cl5F6N14 and a molecular weight of 1333.50 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine
PubChem CID159979081
Molecular FormulaC66H53Cl5F6N14
Molecular Weight1333.50 g/mol
Exact Mass1330.29
IUPAC Name[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine
SMILESCc1cccc2cc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2cc(CNc3nc(N)ncc3C(F)(F)F)c(-c3ccccc3Cl)nc12.Cc1cnc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)nc1N.FC(F)(F)c1cnc(Cl)nc1Cl
InChIInChI=1S/C22H17ClF3N5.C22H20ClN5.C17H15ClN2.C5HCl2F3N2/c1-12-5-4-6-13-9-14(19(30-18(12)13)15-7-2-3-8-17(15)23)10-28-20-16(22(24,25)26)11-29-21(27)31-20;1-13-6-5-7-15-10-16(12-26-22-25-11-14(2)21(24)28-22)20(27-19(13)15)17-8-3-4-9-18(17)23;1-11-5-4-6-12-9-13(10-19)17(20-16(11)12)14-7-2-3-8-15(14)18;6-3-2(5(8,9)10)1-11-4(7)12-3/h2-9,11H,10H2,1H3,(H3,27,28,29,31);3-11H,12H2,1-2H3,(H3,24,25,26,28);2-9H,10,19H2,1H3;1H
InChIKeyOFNKXFTWOYHCMW-UHFFFAOYSA-N
XLogP18.15
TPSA218.13 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.50
LogP ≤ 518.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine with MolForge

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Related Compounds

6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3234184
2-(2-chlorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167882
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-quinolin-2-ylbutyl)ethane-1,2-diamine
CID 71602694
N-(7-chloroquinolin-4-yl)-N'-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155514504
N-(7-chloroquinolin-4-yl)-N'-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155525837
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 155551732
N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 155552123
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 155565137
6-[bis(4-chlorophenyl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916049
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]quinazolin-4-amine
CID 118916205
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916235
2-N-[3-amino-3-(7-chloroquinolin-4-yl)propyl]-4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 46227650

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine?
The IUPAC name of [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine (CID 159979081) is [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine is Cc1cccc2cc(CN)c(-c3ccccc3Cl)nc12.Cc1cccc2cc(CNc3nc(N)ncc3C(F)(F)F)c(-c3ccccc3Cl)nc12.Cc1cnc(NCc2cc3cccc(C)c3nc2-c2ccccc2Cl)nc1N.FC(F)(F)c1cnc(Cl)nc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine?
The InChIKey is OFNKXFTWOYHCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5.C22H20ClN5.C17H15ClN2.C5HCl2F3N2/c1-12-5-4-6-13-9-14(19(30-18(12)13)15-7-2-3-8-17(15)23)10-28-20-16(22(24,25)26)11-29-21(27)31-20;1-13-6-5-7-15-10-16(12-26-22-25-11-14(2)21(24)28-22)20(27-19(13)15)17-8-3-4-9-18(17)23;1-11-5-4-6-12-9-13(10-19)17(20-16(11)12)14-7-2-3-8-15(14)18;6-3-2(5(8,9)10)1-11-4(7)12-3/h2-9,11H,10H2,1H3,(H3,27,28,29,31);3-11H,12H2,1-2H3,(H3,24,25,26,28);2-9H,10,19H2,1H3;1H.
What are the key properties of [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine?
[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine has a molecular weight of 1333.50 g/mol, XLogP of 18.15, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-8-methylquinolin-3-yl]methanamine;2-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-methylpyrimidine-2,4-diamine;4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2,4-dichloro-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159979081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).