[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine

C86H94ClN23O4S — CID 159151705

About [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine

[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 159151705) has the molecular formula C86H94ClN23O4S and a molecular weight of 1581.37 g/mol. Its IUPAC name is [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
• PubChem CID: 159151705
• Molecular Formula: C86H94ClN23O4S
• Molecular Weight: 1581.37 g/mol
• Exact Mass: 1579.73
• IUPAC Name: [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine
• SMILES: CCc1cc(-c2ccc(=O)[nH]c2)nc(N)n1.CCc1cc(-c2ccc(CO)cc2)nc(N)n1.CCc1cc(-c2ccccc2C)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)nc(N)n1.[H]/N=C/c1c(C)ccc(-c2cc(CC)nc(N)n2)c1C.[H]/N=C/c1cc(-c2cc(CC)nc(N)n2)c(C)cc1C
• InChI: InChI=1S/C19H16ClN5O2S.2C15H18N4.C13H15N3O.C13H15N3.C11H12N4O/c1-22-18-10-16(23-19(21)24-18)15-11-25(17-5-3-2-4-14(15)17)28(26,27)13-8-6-12(20)7-9-13;1-4-12-7-14(19-15(17)18-12)13-6-11(8-16)9(2)5-10(13)3;1-4-11-7-14(19-15(17)18-11)12-6-5-9(2)13(8-16)10(12)3;1-2-11-7-12(16-13(14)15-11)10-5-3-9(8-17)4-6-10;1-3-10-8-12(16-13(14)15-10)11-7-5-4-6-9(11)2;1-2-8-5-9(15-11(12)14-8)7-3-4-10(16)13-6-7/h2-11H,1H3,(H3,21,22,23,24);2*5-8,16H,4H2,1-3H3,(H2,17,18,19);3-7,17H,2,8H2,1H3,(H2,14,15,16);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H,13,16)(H2,12,14,15)/b;2*16-8+
• InChIKey: KJJMCRHIEVGFPH-ATLWDBGUSA-N
• XLogP: 14.77
• TPSA: 462.69 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1581.37
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?

The IUPAC name of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine (CID 159151705) is [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine.

What is the SMILES notation for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?

The canonical SMILES for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine is CCc1cc(-c2ccc(=O)[nH]c2)nc(N)n1.CCc1cc(-c2ccc(CO)cc2)nc(N)n1.CCc1cc(-c2ccccc2C)nc(N)n1.CNc1cc(-c2cn(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc23)nc(N)n1.[H]/N=C/c1c(C)ccc(-c2cc(CC)nc(N)n2)c1C.[H]/N=C/c1cc(-c2cc(CC)nc(N)n2)c(C)cc1C.

What is the InChIKey of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?

The InChIKey is KJJMCRHIEVGFPH-ATLWDBGUSA-N. The full InChI is InChI=1S/C19H16ClN5O2S.2C15H18N4.C13H15N3O.C13H15N3.C11H12N4O/c1-22-18-10-16(23-19(21)24-18)15-11-25(17-5-3-2-4-14(15)17)28(26,27)13-8-6-12(20)7-9-13;1-4-12-7-14(19-15(17)18-12)13-6-11(8-16)9(2)5-10(13)3;1-4-11-7-14(19-15(17)18-11)12-6-5-9(2)13(8-16)10(12)3;1-2-11-7-12(16-13(14)15-11)10-5-3-9(8-17)4-6-10;1-3-10-8-12(16-13(14)15-10)11-7-5-4-6-9(11)2;1-2-8-5-9(15-11(12)14-8)7-3-4-10(16)13-6-7/h2-11H,1H3,(H3,21,22,23,24);2*5-8,16H,4H2,1-3H3,(H2,17,18,19);3-7,17H,2,8H2,1H3,(H2,14,15,16);4-8H,3H2,1-2H3,(H2,14,15,16);3-6H,2H2,1H3,(H,13,16)(H2,12,14,15)/b;2*16-8+;;;.

What are the key properties of [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine?

[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 1581.37 g/mol, XLogP of 14.77, 17 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]methanol;5-(2-amino-6-ethylpyrimidin-4-yl)-1H-pyridin-2-one;6-[1-(4-chlorophenyl)sulfonylindol-3-yl]-4-N-methylpyrimidine-2,4-diamine;4-ethyl-6-(3-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(5-methanimidoyl-2,4-dimethylphenyl)pyrimidin-2-amine;4-ethyl-6-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 159151705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).