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

C77H83Cl3F4N20O — CID 160739537

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

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 160739537) has the molecular formula C77H83Cl3F4N20O and a molecular weight of 1487.00 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
• PubChem CID: 160739537
• Molecular Formula: C77H83Cl3F4N20O
• Molecular Weight: 1487.00 g/mol
• Exact Mass: 1484.61
• IUPAC Name: 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1
• InChI: InChI=1S/C16H21N3.C13H14ClN3.C13H15N3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;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;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17)
• InChIKey: RVJVHDSVPBRGLT-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 344.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.00
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;4-ethyl-6-(2,4,5-trifluorophenyl)pyrimidin-2-amine;6-(4-fluoro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 160739537) is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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.CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.CCc1cc(-c2ccc(C)cc2)nc(N)n1.CNc1cc(-c2ccc(Cl)cc2Cl)nc(N)n1.CNc1cc(-c2ccc(F)cc2OC)nc(N)n1.

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

The InChIKey is RVJVHDSVPBRGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C13H14ClN3.C13H15N3.C12H10F3N3.C12H13FN4O.C11H10Cl2N4/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4;1-3-10-7-12(17-13(15)16-10)11-6-9(14)5-4-8(11)2;1-3-11-8-12(16-13(14)15-11)10-6-4-9(2)5-7-10;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;1-15-10-5-9(16-11(14)17-10)7-3-2-6(12)4-8(7)13/h6-10H,5H2,1-4H3,(H2,17,18,19);4-7H,3H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16);3-5H,2H2,1H3,(H2,16,17,18);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17).

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

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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 1487.00 g/mol, XLogP of 17.13, 13 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-methylphenyl)-6-ethylpyrimidin-2-amine;6-(2,4-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine;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 160739537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).