3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine

C67H67Cl3F3N17O — CID 157277860

About 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine

3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine (PubChem CID 157277860) has the molecular formula C67H67Cl3F3N17O and a molecular weight of 1289.74 g/mol. Its IUPAC name is 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine
• PubChem CID: 157277860
• Molecular Formula: C67H67Cl3F3N17O
• Molecular Weight: 1289.74 g/mol
• Exact Mass: 1287.47
• IUPAC Name: 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine
• SMILES: CCc1cc(-c2cc(C#N)ccc2C)nc(N)n1.CCc1cc(-c2cc(C#N)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)c(F)cc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)c(C)cc2F)nc(N)n1.CCc1cc(-c2cc(F)c(C)cc2Cl)nc(N)n1
• InChI: InChI=1S/C14H14N4O.C14H14N4.3C13H13ClFN3/c1-3-10-7-12(18-14(16)17-10)11-6-9(8-15)4-5-13(11)19-2;1-3-11-7-13(18-14(16)17-11)12-6-10(8-15)5-4-9(12)2;1-3-8-5-12(18-13(16)17-8)9-6-10(14)7(2)4-11(9)15;1-3-8-5-12(18-13(16)17-8)9-6-11(15)7(2)4-10(9)14;1-3-8-5-12(18-13(16)17-8)9-4-7(2)11(15)6-10(9)14/h4-7H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*4-6H,3H2,1-2H3,(H2,16,17,18)
• InChIKey: AZHVYWQLPSBXDM-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 315.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1289.74
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine?

The IUPAC name of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine (CID 157277860) is 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine.

What is the SMILES notation for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine?

The canonical SMILES for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine is CCc1cc(-c2cc(C#N)ccc2C)nc(N)n1.CCc1cc(-c2cc(C#N)ccc2OC)nc(N)n1.CCc1cc(-c2cc(C)c(F)cc2Cl)nc(N)n1.CCc1cc(-c2cc(Cl)c(C)cc2F)nc(N)n1.CCc1cc(-c2cc(F)c(C)cc2Cl)nc(N)n1.

What is the InChIKey of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine?

The InChIKey is AZHVYWQLPSBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.C14H14N4.3C13H13ClFN3/c1-3-10-7-12(18-14(16)17-10)11-6-9(8-15)4-5-13(11)19-2;1-3-11-7-13(18-14(16)17-11)12-6-10(8-15)5-4-9(12)2;1-3-8-5-12(18-13(16)17-8)9-6-10(14)7(2)4-11(9)15;1-3-8-5-12(18-13(16)17-8)9-6-11(15)7(2)4-10(9)14;1-3-8-5-12(18-13(16)17-8)9-4-7(2)11(15)6-10(9)14/h4-7H,3H2,1-2H3,(H2,16,17,18);4-7H,3H2,1-2H3,(H2,16,17,18);3*4-6H,3H2,1-2H3,(H2,16,17,18).

What are the key properties of 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine?

3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine has a molecular weight of 1289.74 g/mol, XLogP of 14.80, 11 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-amino-6-ethylpyrimidin-4-yl)-4-methoxybenzonitrile;3-(2-amino-6-ethylpyrimidin-4-yl)-4-methylbenzonitrile;4-(2-chloro-4-fluoro-5-methylphenyl)-6-ethylpyrimidin-2-amine;4-(2-chloro-5-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine;4-(5-chloro-2-fluoro-4-methylphenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 157277860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).