5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine

C79H95ClN30O4 — CID 160771698

About 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine

5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine (PubChem CID 160771698) has the molecular formula C79H95ClN30O4 and a molecular weight of 1564.29 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine
• PubChem CID: 160771698
• Molecular Formula: C79H95ClN30O4
• Molecular Weight: 1564.29 g/mol
• Exact Mass: 1562.78
• IUPAC Name: 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine
• SMILES: CCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1.COc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO.Cc1cccc(Nc2cc(N)nc(N)n2)c1.Nc1cc(-c2ccccc2)nc(N)n1.Nc1cc(N2CCCCC2)nc(N)n1.Nc1cc(Nc2ccccc2)nc(N)n1.Nc1cc(OCc2ccccc2)cc(N)n1
• InChI: InChI=1S/C14H18N4O3.C13H15ClN4.C12H13N3O.C11H13N5.C10H11N5.C10H10N4.C9H15N5/c1-21-12-4-8(3-10(6-19)11(12)7-20)2-9-5-17-14(16)18-13(9)15;1-2-11-10(12(15)18-13(16)17-11)7-8-3-5-9(14)6-4-8;13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9;1-7-3-2-4-8(5-7)14-10-6-9(12)15-11(13)16-10;11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h3-5,19-20H,2,6-7H2,1H3,(H4,15,16,17,18);3-6H,2,7H2,1H3,(H4,15,16,17,18);1-7H,8H2,(H4,13,14,15);2-6H,1H3,(H5,12,13,14,15,16);1-6H,(H5,11,12,13,14,15);1-6H,(H4,11,12,13,14);6H,1-5H2,(H4,10,11,12,13)
• InChIKey: RZKBPKHJQMFPBE-UHFFFAOYSA-N
• XLogP: 9.51
• TPSA: 618.07 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.29
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine?

The IUPAC name of 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine (CID 160771698) is 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine.

What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine?

The canonical SMILES for 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1Cc1ccc(Cl)cc1.COc1cc(Cc2cnc(N)nc2N)cc(CO)c1CO.Cc1cccc(Nc2cc(N)nc(N)n2)c1.Nc1cc(-c2ccccc2)nc(N)n1.Nc1cc(N2CCCCC2)nc(N)n1.Nc1cc(Nc2ccccc2)nc(N)n1.Nc1cc(OCc2ccccc2)cc(N)n1.

What is the InChIKey of 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine?

The InChIKey is RZKBPKHJQMFPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.C13H15ClN4.C12H13N3O.C11H13N5.C10H11N5.C10H10N4.C9H15N5/c1-21-12-4-8(3-10(6-19)11(12)7-20)2-9-5-17-14(16)18-13(9)15;1-2-11-10(12(15)18-13(16)17-11)7-8-3-5-9(14)6-4-8;13-11-6-10(7-12(14)15-11)16-8-9-4-2-1-3-5-9;1-7-3-2-4-8(5-7)14-10-6-9(12)15-11(13)16-10;11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7;11-9-6-8(13-10(12)14-9)7-4-2-1-3-5-7;10-7-6-8(13-9(11)12-7)14-4-2-1-3-5-14/h3-5,19-20H,2,6-7H2,1H3,(H4,15,16,17,18);3-6H,2,7H2,1H3,(H4,15,16,17,18);1-7H,8H2,(H4,13,14,15);2-6H,1H3,(H5,12,13,14,15,16);1-6H,(H5,11,12,13,14,15);1-6H,(H4,11,12,13,14);6H,1-5H2,(H4,10,11,12,13).

What are the key properties of 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine?

5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine has a molecular weight of 1564.29 g/mol, XLogP of 9.51, 17 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chlorophenyl)methyl]-6-ethylpyrimidine-2,4-diamine;[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;4-N-(3-methylphenyl)pyrimidine-2,4,6-triamine;4-phenylmethoxypyridine-2,6-diamine;6-phenylpyrimidine-2,4-diamine;4-N-phenylpyrimidine-2,4,6-triamine;6-piperidin-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 160771698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).