3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine

C108H117Cl3FN31O2S — CID 159867934

About 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine

3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine (PubChem CID 159867934) has the molecular formula C108H117Cl3FN31O2S and a molecular weight of 2038.76 g/mol. Its IUPAC name is 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
• PubChem CID: 159867934
• Molecular Formula: C108H117Cl3FN31O2S
• Molecular Weight: 2038.76 g/mol
• Exact Mass: 2035.88
• IUPAC Name: 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
• SMILES: C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(C#N)cccc1-c1cc(NC2CC2)nc(N)n1.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(NCCCc3cc(C#N)ccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)nn3)nc(N)n2)c1C.[H]/N=C(C)/C(CCCc1cc(-c2cccc(C)c2C)nc(N)n1)=C(/C)N
• InChI: InChI=1S/C21H22N6.C20H22FN5O2S.C20H27N5.C19H21ClN6.C15H15N5.C13H10Cl2N4/c1-14-5-3-7-18(15(14)2)19-12-20(27-21(23)26-19)25-9-4-6-17-11-16(13-22)8-10-24-17;1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-12-7-5-9-17(13(12)2)19-11-16(24-20(23)25-19)8-6-10-18(14(3)21)15(4)22;1-12-5-3-7-15(13(12)2)16-11-18(24-19(21)23-16)22-10-4-6-14-8-9-17(20)26-25-14;1-9-10(8-16)3-2-4-12(9)13-7-14(18-11-5-6-11)20-15(17)19-13;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h3,5,7-8,10-12H,4,6,9H2,1-2H3,(H3,23,25,26,27);3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);5,7,9,11,21H,6,8,10,22H2,1-4H3,(H2,23,24,25);3,5,7-9,11H,4,6,10H2,1-2H3,(H3,21,22,23,24);2-4,7,11H,5-6H2,1H3,(H3,17,18,19,20);1,3-5,7H,6H2,(H3,16,17,18,19)/b;;18-15-,21-14+
• InChIKey: NRYTUKVBOKVNJX-OLOCUCCQSA-N
• XLogP: 19.76
• TPSA: 567.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2038.76
LogP ≤ 5	19.76
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

The IUPAC name of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine (CID 159867934) is 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine.

What is the SMILES notation for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

The canonical SMILES for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine is C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(C#N)cccc1-c1cc(NC2CC2)nc(N)n1.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(NCCCc3cc(C#N)ccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)nn3)nc(N)n2)c1C.[H]/N=C(C)/C(CCCc1cc(-c2cccc(C)c2C)nc(N)n1)=C(/C)N.

What is the InChIKey of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

The InChIKey is NRYTUKVBOKVNJX-OLOCUCCQSA-N. The full InChI is InChI=1S/C21H22N6.C20H22FN5O2S.C20H27N5.C19H21ClN6.C15H15N5.C13H10Cl2N4/c1-14-5-3-7-18(15(14)2)19-12-20(27-21(23)26-19)25-9-4-6-17-11-16(13-22)8-10-24-17;1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-12-7-5-9-17(13(12)2)19-11-16(24-20(23)25-19)8-6-10-18(14(3)21)15(4)22;1-12-5-3-7-15(13(12)2)16-11-18(24-19(21)23-16)22-10-4-6-14-8-9-17(20)26-25-14;1-9-10(8-16)3-2-4-12(9)13-7-14(18-11-5-6-11)20-15(17)19-13;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h3,5,7-8,10-12H,4,6,9H2,1-2H3,(H3,23,25,26,27);3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);5,7,9,11,21H,6,8,10,22H2,1-4H3,(H2,23,24,25);3,5,7-9,11H,4,6,10H2,1-2H3,(H3,21,22,23,24);2-4,7,11H,5-6H2,1H3,(H3,17,18,19,20);1,3-5,7H,6H2,(H3,16,17,18,19)/b;;18-15-,21-14+;;;.

What are the key properties of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine has a molecular weight of 2038.76 g/mol, XLogP of 19.76, 30 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;4-[(Z)-5-amino-4-ethanimidoylhex-4-enyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine is sourced from PubChem (CID 159867934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).