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

C90H93Cl2F9N22O2 — CID 157488008

IUPAC4-(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
SMILESCCc1cc(-c2ccc(Cl)c(F)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)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1
InChIInChI=1S/C15H19N3O.C14H17N3.C13H14FN3O.2C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;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)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14;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);5-8H,4H2,1-3H3,(H2,15,16,17);4-7H,3H2,1-2H3,(H2,15,16,17);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyBWYCTYFVUDOORB-UHFFFAOYSA-N
MW1756.77 g/mol
LogP20.07
Rot. Bonds17

About 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

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 (PubChem CID 157488008) has the molecular formula C90H93Cl2F9N22O2 and a molecular weight of 1756.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157488008
Molecular FormulaC90H93Cl2F9N22O2
Molecular Weight1756.77 g/mol
Exact Mass1754.71
IUPAC Name4-(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
SMILESCCc1cc(-c2ccc(Cl)c(F)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)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1
InChIInChI=1S/C15H19N3O.C14H17N3.C13H14FN3O.2C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;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)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14;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);5-8H,4H2,1-3H3,(H2,15,16,17);4-7H,3H2,1-2H3,(H2,15,16,17);2*3-6H,2H2,1H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyBWYCTYFVUDOORB-UHFFFAOYSA-N
XLogP20.07
TPSA393.09 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.77
LogP ≤ 520.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-c2ccc(Cl)c(F)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)c(F)c2)nc(N)n1.CCc1cc(-c2cccc(C)c2C)nc(N)n1.CCc1cc(-c2cccc(Cl)c2F)nc(N)n1.CNc1cc(-c2cccc(C(F)(F)F)c2F)nc(N)n1.
What is the InChIKey of 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?
The InChIKey is BWYCTYFVUDOORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C14H17N3.C13H14FN3O.2C12H11ClFN3.C12H10F4N4.C12H11F2N3/c1-4-12-9-14(18-15(16)17-12)11-5-7-13(8-6-11)19-10(2)3;1-4-11-8-13(17-14(15)16-11)12-7-5-6-9(2)10(12)3;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)7-3-4-9(13)10(14)5-7;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14;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);5-8H,4H2,1-3H3,(H2,15,16,17);4-7H,3H2,1-2H3,(H2,15,16,17);2*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-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?
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 has a molecular weight of 1756.77 g/mol, XLogP of 20.07, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157488008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).