1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea

C165H181F2N45O13 — CID 162291057

About 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea

1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 162291057) has the molecular formula C165H181F2N45O13 and a molecular weight of 3040.56 g/mol. Its IUPAC name is 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
• PubChem CID: 162291057
• Molecular Formula: C165H181F2N45O13
• Molecular Weight: 3040.56 g/mol
• Exact Mass: 3038.49
• IUPAC Name: 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea
• SMILES: CCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CNCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.COC(=O)CCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCC(F)(F)CO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(N)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCc2ccc[nH]2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCOCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCc2ccc[nH]2)nc(NC(=O)Nc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C23H24N6O.C22H28N6O2.C22H22N6O.C20H24N6O.C20H21N5O3.C20H23N5O.C19H19F2N5O2.C19H20N6O2/c1-16-14-21(25-13-5-9-19-8-4-12-24-19)28-22(26-16)29-23(30)27-20-11-10-17-6-2-3-7-18(17)15-20;1-16-14-20(23-10-12-30-13-11-28(2)3)26-21(24-16)27-22(29)25-19-9-8-17-6-4-5-7-18(17)15-19;1-15-13-20(24-12-10-18-7-4-11-23-18)27-21(25-15)28-22(29)26-19-9-8-16-5-2-3-6-17(16)14-19;1-14-12-18(22-11-5-10-21-2)25-19(23-14)26-20(27)24-17-9-8-15-6-3-4-7-16(15)13-17;1-13-11-17(21-10-9-18(26)28-2)24-19(22-13)25-20(27)23-16-8-7-14-5-3-4-6-15(14)12-16;1-3-4-11-21-18-12-14(2)22-19(24-18)25-20(26)23-17-10-9-15-7-5-6-8-16(15)13-17;1-12-8-16(22-10-19(20,21)11-27)25-17(23-12)26-18(28)24-15-7-6-13-4-2-3-5-14(13)9-15;1-12-10-17(21-9-8-16(20)26)24-18(22-12)25-19(27)23-15-7-6-13-4-2-3-5-14(13)11-15/h2-4,6-8,10-12,14-15,24H,5,9,13H2,1H3,(H3,25,26,27,28,29,30);4-9,14-15H,10-13H2,1-3H3,(H3,23,24,25,26,27,29);2-9,11,13-14,23H,10,12H2,1H3,(H3,24,25,26,27,28,29);3-4,6-9,12-13,21H,5,10-11H2,1-2H3,(H3,22,23,24,25,26,27);3-8,11-12H,9-10H2,1-2H3,(H3,21,22,23,24,25,27);5-10,12-13H,3-4,11H2,1-2H3,(H3,21,22,23,24,25,26);2-9,27H,10-11H2,1H3,(H3,22,23,24,25,26,28);2-7,10-11H,8-9H2,1H3,(H2,20,26)(H3,21,22,23,24,25,27)
• InChIKey: MDOWNTVKZDGDLU-UHFFFAOYSA-N
• XLogP: 31.54
• TPSA: 777.22 Ų
• H-Bond Donors: 29
• H-Bond Acceptors: 39
• Rotatable Bonds: 53
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3040.56
LogP ≤ 5	31.54
H-Bond Donors ≤ 5	29
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The IUPAC name of 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 162291057) is 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea.

What is the SMILES notation for 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The canonical SMILES for 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea is CCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CNCCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.COC(=O)CCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCC(F)(F)CO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(N)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCc2ccc[nH]2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCOCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCc2ccc[nH]2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.

What is the InChIKey of 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The InChIKey is MDOWNTVKZDGDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O.C22H28N6O2.C22H22N6O.C20H24N6O.C20H21N5O3.C20H23N5O.C19H19F2N5O2.C19H20N6O2/c1-16-14-21(25-13-5-9-19-8-4-12-24-19)28-22(26-16)29-23(30)27-20-11-10-17-6-2-3-7-18(17)15-20;1-16-14-20(23-10-12-30-13-11-28(2)3)26-21(24-16)27-22(29)25-19-9-8-17-6-4-5-7-18(17)15-19;1-15-13-20(24-12-10-18-7-4-11-23-18)27-21(25-15)28-22(29)26-19-9-8-16-5-2-3-6-17(16)14-19;1-14-12-18(22-11-5-10-21-2)25-19(23-14)26-20(27)24-17-9-8-15-6-3-4-7-16(15)13-17;1-13-11-17(21-10-9-18(26)28-2)24-19(22-13)25-20(27)23-16-8-7-14-5-3-4-6-15(14)12-16;1-3-4-11-21-18-12-14(2)22-19(24-18)25-20(26)23-17-10-9-15-7-5-6-8-16(15)13-17;1-12-8-16(22-10-19(20,21)11-27)25-17(23-12)26-18(28)24-15-7-6-13-4-2-3-5-14(13)9-15;1-12-10-17(21-9-8-16(20)26)24-18(22-12)25-19(27)23-15-7-6-13-4-2-3-5-14(13)11-15/h2-4,6-8,10-12,14-15,24H,5,9,13H2,1H3,(H3,25,26,27,28,29,30);4-9,14-15H,10-13H2,1-3H3,(H3,23,24,25,26,27,29);2-9,11,13-14,23H,10,12H2,1H3,(H3,24,25,26,27,28,29);3-4,6-9,12-13,21H,5,10-11H2,1-2H3,(H3,22,23,24,25,26,27);3-8,11-12H,9-10H2,1-2H3,(H3,21,22,23,24,25,27);5-10,12-13H,3-4,11H2,1-2H3,(H3,21,22,23,24,25,26);2-9,27H,10-11H2,1H3,(H3,22,23,24,25,26,28);2-7,10-11H,8-9H2,1H3,(H2,20,26)(H3,21,22,23,24,25,27).

What are the key properties of 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea?

1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 3040.56 g/mol, XLogP of 31.54, 53 rotatable bonds, 29 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(butylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[(2,2-difluoro-3-hydroxypropyl)amino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-[2-(dimethylamino)ethoxy]ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(methylamino)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;methyl 3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanoate;3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-methyl-6-[2-(1H-pyrrol-2-yl)ethylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-[3-(1H-pyrrol-2-yl)propylamino]pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 162291057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).