5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C62H73ClN18O8 — CID 157302237

About 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 157302237) has the molecular formula C62H73ClN18O8 and a molecular weight of 1233.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
• PubChem CID: 157302237
• Molecular Formula: C62H73ClN18O8
• Molecular Weight: 1233.84 g/mol
• Exact Mass: 1232.55
• IUPAC Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
• SMILES: CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
• InChI: InChI=1S/C19H23N5O3.C17H19N5O2.C14H18N4O3.C12H13ClN4/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);5-7H,4H2,1-3H3,(H4,15,16,17,18);3-6H,2H2,1H3,(H4,14,15,16,17)
• InChIKey: BCAPLRYEUZGMNV-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 410.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1233.84
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?

The IUPAC name of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 157302237) is 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?

The canonical SMILES for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1.

What is the InChIKey of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?

The InChIKey is BCAPLRYEUZGMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3.C17H19N5O2.C14H18N4O3.C12H13ClN4/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3;1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16;1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24);4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22);5-7H,4H2,1-3H3,(H4,15,16,17,18);3-6H,2H2,1H3,(H4,14,15,16,17).

What are the key properties of 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?

5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 1233.84 g/mol, XLogP of 8.63, 17 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine;5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline-2,4-diamine;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157302237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).