4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine

C77H74Cl7F6N19 — CID 158397716

About 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine

4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine (PubChem CID 158397716) has the molecular formula C77H74Cl7F6N19 and a molecular weight of 1627.73 g/mol. Its IUPAC name is 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
• PubChem CID: 158397716
• Molecular Formula: C77H74Cl7F6N19
• Molecular Weight: 1627.73 g/mol
• Exact Mass: 1623.41
• IUPAC Name: 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
• SMILES: CCc1cc(-c2cccc(Cl)c2C)nc(N)n1.CCc1cc(-c2cccc(F)c2Cl)nc(N)n1.CCc1cc(-c2cccc(F)c2F)nc(N)n1.CCc1nc(N)nc(-c2cccc(Cl)c2Cl)c1C.CNc1cc(-c2cccc(C(F)(F)F)c2Cl)nc(N)n1.Cc1c(CC2CC2)nc(N)nc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C15H15Cl2N3.C13H13Cl2N3.C13H14ClN3.C12H10ClF3N4.C12H11ClFN3.C12H11F2N3/c1-8-12(7-9-5-6-9)19-15(18)20-14(8)10-3-2-4-11(16)13(10)17;1-3-10-7(2)12(18-13(16)17-10)8-5-4-6-9(14)11(8)15;1-3-9-7-12(17-13(15)16-9)10-5-4-6-11(14)8(10)2;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(14)11(8)13;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h2-4,9H,5-7H2,1H3,(H2,18,19,20);4-6H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);2*3-6H,2H2,1H3,(H2,15,16,17)
• InChIKey: GXSHVEDOPUHSCZ-UHFFFAOYSA-N
• XLogP: 20.53
• TPSA: 322.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1627.73
LogP ≤ 5	20.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?

The IUPAC name of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine (CID 158397716) is 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine.

What is the SMILES notation for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?

The canonical SMILES for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine is CCc1cc(-c2cccc(Cl)c2C)nc(N)n1.CCc1cc(-c2cccc(F)c2Cl)nc(N)n1.CCc1cc(-c2cccc(F)c2F)nc(N)n1.CCc1nc(N)nc(-c2cccc(Cl)c2Cl)c1C.CNc1cc(-c2cccc(C(F)(F)F)c2Cl)nc(N)n1.Cc1c(CC2CC2)nc(N)nc1-c1cccc(Cl)c1Cl.

What is the InChIKey of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?

The InChIKey is GXSHVEDOPUHSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3.C13H13Cl2N3.C13H14ClN3.C12H10ClF3N4.C12H11ClFN3.C12H11F2N3/c1-8-12(7-9-5-6-9)19-15(18)20-14(8)10-3-2-4-11(16)13(10)17;1-3-10-7(2)12(18-13(16)17-10)8-5-4-6-9(14)11(8)15;1-3-9-7-12(17-13(15)16-9)10-5-4-6-11(14)8(10)2;1-18-9-5-8(19-11(17)20-9)6-3-2-4-7(10(6)13)12(14,15)16;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(14)11(8)13;1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h2-4,9H,5-7H2,1H3,(H2,18,19,20);4-6H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,15,16,17);2-5H,1H3,(H3,17,18,19,20);2*3-6H,2H2,1H3,(H2,15,16,17).

What are the key properties of 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?

4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine has a molecular weight of 1627.73 g/mol, XLogP of 20.53, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-3-fluorophenyl)-6-ethylpyrimidin-2-amine;4-(3-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-[2-chloro-3-(trifluoromethyl)phenyl]-4-N-methylpyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(2,3-dichlorophenyl)-5-methylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-ethyl-5-methylpyrimidin-2-amine;4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158397716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).