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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

C79H84ClF7N18O4 — CID 159147124

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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
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(C)c2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)nc(N)n1
InChIInChI=1S/C15H19N3O.C14H17N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-12(17-14(15)16-11)10-5-6-13(18-3)9(2)7-10;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;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);2*3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyKIUZVSCGAZPEPO-UHFFFAOYSA-N
MW1518.10 g/mol
LogP16.95
Rot. Bonds17

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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (PubChem CID 159147124) has the molecular formula C79H84ClF7N18O4 and a molecular weight of 1518.10 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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.

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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
PubChem CID159147124
Molecular FormulaC79H84ClF7N18O4
Molecular Weight1518.10 g/mol
Exact Mass1516.65
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
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(C)c2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)nc(N)n1
InChIInChI=1S/C15H19N3O.C14H17N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-12(17-14(15)16-11)10-5-6-13(18-3)9(2)7-10;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;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);2*3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyKIUZVSCGAZPEPO-UHFFFAOYSA-N
XLogP16.95
TPSA347.72 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001518.10
LogP ≤ 516.95
H-Bond Donors ≤ 56
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

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
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
3-(2-Amino-6-ethylpyrimidin-4-yl)-4-fluorobenzonitrile;4-(2-chloro-5-fluorophenyl)-6-ethylpyrimidin-2-amine;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;4-ethyl-6-[5-fluoro-2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157644721
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
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 158538763
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
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
CID 159246077
4-(3-Chlorophenyl)-6-(cyclopropylmethyl)pyrimidin-2-amine;4-(3-chlorophenyl)-6-(oxan-4-ylmethyl)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;4-(2,2-dimethylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159632759
4-(4-Chlorophenyl)-6-(cyclobutylmethyl)pyrimidin-2-amine;4-(4-chlorophenyl)-6-(cyclopentylmethyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclobutylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(cyclopentylmethyl)-6-(4-methoxyphenyl)pyrimidin-2-amine;4-(cyclopentylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 159636012

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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine (CID 159147124) 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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine.
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine 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(C)c2)nc(N)n1.CCc1cc(-c2ccc(OC)c(F)c2)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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is KIUZVSCGAZPEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C14H17N3O.C13H12F3N3O.C13H14FN3O.C12H11ClFN3.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-12(17-14(15)16-11)10-5-6-13(18-3)9(2)7-10;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;1-2-8-6-11(17-12(15)16-8)7-3-4-9(13)10(14)5-7/h5-10H,4H2,1-3H3,(H2,16,17,18);5-8H,4H2,1-3H3,(H2,15,16,17);3-7H,2H2,1H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);2*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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine?
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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 1518.10 g/mol, XLogP of 16.95, 17 rotatable bonds, 6 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-methoxy-3-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;4-ethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159147124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).