4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine

C77H77ClF11N19O3 — CID 158961874

IUPAC4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1.CCc1cc(-c2ccc(F)c(F)c2)nc(N)n1.CCc1cc(-c2ccc(OC(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1
InChIInChI=1S/C15H19N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-2-9-7-11(19-12(17)18-9)8-3-5-10(6-4-8)20-13(14,15)16;1-3-9-7-11(17-13(15)16-9)8-4-5-12(18-2)10(14)6-8;1-2-8-6-11(17-12(15)16-8)7-3-4-10(14)9(13)5-7;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyJMSLYTTYVXBUQG-UHFFFAOYSA-N
MW1561.02 g/mol
LogP17.27
Rot. Bonds16

About 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine

4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 158961874) has the molecular formula C77H77ClF11N19O3 and a molecular weight of 1561.02 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID158961874
Molecular FormulaC77H77ClF11N19O3
Molecular Weight1561.02 g/mol
Exact Mass1559.60
IUPAC Name4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCCc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1.CCc1cc(-c2ccc(F)c(F)c2)nc(N)n1.CCc1cc(-c2ccc(OC(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1
InChIInChI=1S/C15H19N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-2-9-7-11(19-12(17)18-9)8-3-5-10(6-4-8)20-13(14,15)16;1-3-9-7-11(17-13(15)16-9)8-4-5-12(18-2)10(14)6-8;1-2-8-6-11(17-12(15)16-8)7-3-4-10(14)9(13)5-7;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyJMSLYTTYVXBUQG-UHFFFAOYSA-N
XLogP17.27
TPSA350.52 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001561.02
LogP ≤ 517.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Analyze 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[2-[3-chloro-4-[2-[2-(3,5-difluorophenyl)ethylamino]-4-[3-[[ethyl(piperidin-4-yl)amino]methyl]phenyl]pyrimidin-5-yl]oxyphenyl]ethyl]-4-[3-(piperidin-4-ylamino)phenyl]-5-[4-[2-[[4-[3-(piperidin-4-ylamino)phenyl]pyrimidin-2-yl]amino]ethyl]phenoxy]pyrimidin-2-amine
CID 139292982
2-[5-[[4-[[2-(5-chloro-2-fluorophenyl)-5-phenoxypyrimidin-4-yl]amino]-3-methyl-2-pyridinyl]methyl]-2-fluorophenyl]-5-phenoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 142902230
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine;4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(4-fluoro-2,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 157068955
5-chloro-6-ethyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-ethylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 157162795
bis(5-chloro-6-methyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine);hydrochloride
CID 157188773
3-(2-amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(5-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(2,5-dichlorophenyl)-6-ethylpyrimidin-2-amine;6-[5-fluoro-2-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157251782
4-[2,5-Bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157472919
4-(3-chloro-2-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(4-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine
CID 157488008
4-[2,5-bis(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-(5-tert-butyl-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methoxyphenyl)-6-ethylpyrimidin-2-amine;6-[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-[2-chloro-5-(trifluoromethyl)phenyl]-6-ethylpyrimidin-2-amine;4-ethyl-6-(2-fluoro-5-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methoxy-5-propan-2-ylphenyl)pyrimidin-2-amine
CID 157658692
4-[(4-Chloro-2-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2,6-difluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1,3-dimethoxypropan-2-yloxy)-2,5-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrimidine;4-[(2,4-dimethylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-[(2-fluoro-4-methylphenyl)methyl]-6-(1-methoxybutan-2-yloxy)-2,5-dimethylpyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-2,5-dimethyl-6-[(2,4,6-trimethylphenyl)methyl]pyrimidine;4-(1-methoxybutan-2-yloxy)-6-[(4-methoxy-2-methylphenyl)methyl]-2,5-dimethylpyrimidine
CID 157886344
4-(4-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(2,2-dimethylpropyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(oxan-4-ylmethyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopropylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(2,2-dimethylpropyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 158191294
5-chloro-6-methyl-N-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanamine
CID 158197447

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine (CID 158961874) is 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine is CCc1cc(-c2ccc(F)c(Cl)c2)nc(N)n1.CCc1cc(-c2ccc(F)c(F)c2)nc(N)n1.CCc1cc(-c2ccc(OC(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(OC(F)(F)F)cc2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is JMSLYTTYVXBUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-2-9-7-11(19-12(17)18-9)8-3-5-10(6-4-8)20-13(14,15)16;1-3-9-7-11(17-13(15)16-9)8-4-5-12(18-2)10(14)6-8;1-2-8-6-11(17-12(15)16-8)7-3-4-10(14)9(13)5-7;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine?
4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 1561.02 g/mol, XLogP of 17.27, 16 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3,4-difluorophenyl)-6-ethylpyrimidin-2-amine;4-ethyl-6-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine;6-[2-fluoro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 158961874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).