3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

C121H119Cl4F3N24O — CID 161161254

IUPAC3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(-c2cc(CC3CC3c3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccc(O)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccnc3)nc(N)n2)c1C.Cc1ccccc1-c1cc(NCCc2ccc(Cl)cc2)nc(N)n1.Nc1nc(CCCc2ccc(Cl)cc2)cc(-c2cccc3ncccc23)n1.Nc1nc(NCCc2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H19ClN4.C22H22ClN3.C20H22N4O.C19H16ClF3N4.C19H19ClN4.C19H21N5/c23-16-11-9-15(10-12-16)4-1-5-17-14-21(27-22(24)26-17)19-6-2-8-20-18(19)7-3-13-25-20;1-13-4-3-5-19(14(13)2)21-12-18(25-22(24)26-21)10-16-11-20(16)15-6-8-17(23)9-7-15;1-13-5-3-8-17(14(13)2)18-12-19(24-20(21)23-18)22-10-9-15-6-4-7-16(25)11-15;20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23;1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14;1-13-5-3-7-16(14(13)2)17-11-18(24-19(20)23-17)22-10-8-15-6-4-9-21-12-15/h2-3,6-14H,1,4-5H2,(H2,24,26,27);3-9,12,16,20H,10-11H2,1-2H3,(H2,24,25,26);3-8,11-12,25H,9-10H2,1-2H3,(H3,21,22,23,24);1-7,10-11H,8-9H2,(H3,24,25,26,27);2-9,12H,10-11H2,1H3,(H3,21,22,23,24);3-7,9,11-12H,8,10H2,1-2H3,(H3,20,22,23,24)
InChIKeyUPYMEVACWVCBIX-UHFFFAOYSA-N
MW2124.26 g/mol
LogP26.93
Rot. Bonds29

About 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (PubChem CID 161161254) has the molecular formula C121H119Cl4F3N24O and a molecular weight of 2124.26 g/mol. Its IUPAC name is 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
PubChem CID161161254
Molecular FormulaC121H119Cl4F3N24O
Molecular Weight2124.26 g/mol
Exact Mass2120.87
IUPAC Name3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cccc(-c2cc(CC3CC3c3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccc(O)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccnc3)nc(N)n2)c1C.Cc1ccccc1-c1cc(NCCc2ccc(Cl)cc2)nc(N)n1.Nc1nc(CCCc2ccc(Cl)cc2)cc(-c2cccc3ncccc23)n1.Nc1nc(NCCc2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H19ClN4.C22H22ClN3.C20H22N4O.C19H16ClF3N4.C19H19ClN4.C19H21N5/c23-16-11-9-15(10-12-16)4-1-5-17-14-21(27-22(24)26-17)19-6-2-8-20-18(19)7-3-13-25-20;1-13-4-3-5-19(14(13)2)21-12-18(25-22(24)26-21)10-16-11-20(16)15-6-8-17(23)9-7-15;1-13-5-3-8-17(14(13)2)18-12-19(24-20(21)23-18)22-10-9-15-6-4-7-16(25)11-15;20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23;1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14;1-13-5-3-7-16(14(13)2)17-11-18(24-19(20)23-17)22-10-8-15-6-4-9-21-12-15/h2-3,6-14H,1,4-5H2,(H2,24,26,27);3-9,12,16,20H,10-11H2,1-2H3,(H2,24,25,26);3-8,11-12,25H,9-10H2,1-2H3,(H3,21,22,23,24);1-7,10-11H,8-9H2,(H3,24,25,26,27);2-9,12H,10-11H2,1H3,(H3,21,22,23,24);3-7,9,11-12H,8,10H2,1-2H3,(H3,20,22,23,24)
InChIKeyUPYMEVACWVCBIX-UHFFFAOYSA-N
XLogP26.93
TPSA404.93 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.26
LogP ≤ 526.93
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine (CID 161161254) is 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is Cc1cccc(-c2cc(CC3CC3c3ccc(Cl)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccc(O)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCc3cccnc3)nc(N)n2)c1C.Cc1ccccc1-c1cc(NCCc2ccc(Cl)cc2)nc(N)n1.Nc1nc(CCCc2ccc(Cl)cc2)cc(-c2cccc3ncccc23)n1.Nc1nc(NCCc2ccc(Cl)cc2)cc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is UPYMEVACWVCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4.C22H22ClN3.C20H22N4O.C19H16ClF3N4.C19H19ClN4.C19H21N5/c23-16-11-9-15(10-12-16)4-1-5-17-14-21(27-22(24)26-17)19-6-2-8-20-18(19)7-3-13-25-20;1-13-4-3-5-19(14(13)2)21-12-18(25-22(24)26-21)10-16-11-20(16)15-6-8-17(23)9-7-15;1-13-5-3-8-17(14(13)2)18-12-19(24-20(21)23-18)22-10-9-15-6-4-7-16(25)11-15;20-15-6-4-12(5-7-15)8-9-25-17-11-16(26-18(24)27-17)13-2-1-3-14(10-13)19(21,22)23;1-13-4-2-3-5-16(13)17-12-18(24-19(21)23-17)22-11-10-14-6-8-15(20)9-7-14;1-13-5-3-7-16(14(13)2)17-11-18(24-19(20)23-17)22-10-8-15-6-4-9-21-12-15/h2-3,6-14H,1,4-5H2,(H2,24,26,27);3-9,12,16,20H,10-11H2,1-2H3,(H2,24,25,26);3-8,11-12,25H,9-10H2,1-2H3,(H3,21,22,23,24);1-7,10-11H,8-9H2,(H3,24,25,26,27);2-9,12H,10-11H2,1H3,(H3,21,22,23,24);3-7,9,11-12H,8,10H2,1-2H3,(H3,20,22,23,24).
What are the key properties of 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine?
3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 2124.26 g/mol, XLogP of 26.93, 29 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenol;4-[[2-(4-chlorophenyl)cyclopropyl]methyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-N-[2-(4-chlorophenyl)ethyl]-6-(2-methylphenyl)pyrimidine-2,4-diamine;4-N-[2-(4-chlorophenyl)ethyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-[3-(4-chlorophenyl)propyl]-6-quinolin-5-ylpyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161161254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).