4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine

C59H57Cl3F6N18O — CID 159150095

About 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine

4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 159150095) has the molecular formula C59H57Cl3F6N18O and a molecular weight of 1254.58 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
• PubChem CID: 159150095
• Molecular Formula: C59H57Cl3F6N18O
• Molecular Weight: 1254.58 g/mol
• Exact Mass: 1252.39
• IUPAC Name: 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
• SMILES: CCc1cc(-c2cc(Cl)ccc2C)nc(N)n1.CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2F)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1
• InChI: InChI=1S/C13H14ClN3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4.C11H10F2N4/c1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2;2*1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h4-7H,3H2,1-2H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2*2-5H,1H3,(H3,14,15,16,17)
• InChIKey: KJDZSMQOJCXEIE-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 304.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1254.58
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?

The IUPAC name of 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 159150095) is 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine.

What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?

The canonical SMILES for 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is CCc1cc(-c2cc(Cl)ccc2C)nc(N)n1.CCc1cc(-c2cc(F)c(F)cc2F)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2F)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1.

What is the InChIKey of 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?

The InChIKey is KJDZSMQOJCXEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4.C11H10F2N4/c1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-2-6-3-11(18-12(16)17-6)7-4-9(14)10(15)5-8(7)13;1-15-11-6-9(16-12(14)17-11)8-4-3-7(13)5-10(8)18-2;2*1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h4-7H,3H2,1-2H3,(H2,15,16,17);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2*2-5H,1H3,(H3,14,15,16,17).

What are the key properties of 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine?

4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 1254.58 g/mol, XLogP of 12.99, 11 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;6-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 159150095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).