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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea

C142H161F2N39O12 — CID 158754352

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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 158754352) has the molecular formula C142H161F2N39O12 and a molecular weight of 2644.11 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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
• PubChem CID: 158754352
• Molecular Formula: C142H161F2N39O12
• Molecular Weight: 2644.11 g/mol
• Exact Mass: 2642.32
• 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-(piperidin-3-ylmethylamino)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(NCC2CCCNC2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(N)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCOCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C22H28N6O2.C22H26N6O.C20H24N6O.C20H21N5O3.C20H23N5O.C19H19F2N5O2.C19H20N6O2/c1-16-14-20(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;1-15-11-20(24-14-16-5-4-10-23-13-16)27-21(25-15)28-22(29)26-19-9-8-17-6-2-3-7-18(17)12-19;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/h4-9,14-15H,10-13H2,1-3H3,(H3,23,24,25,26,27,29);2-3,6-9,11-12,16,23H,4-5,10,13-14H2,1H3,(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: INWKACBMKNIVFT-UHFFFAOYSA-N
• XLogP: 26.01
• TPSA: 678.73 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2644.11
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	36

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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 158754352) 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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)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(NCC2CCCNC2)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(N)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCOCCN(C)C)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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The InChIKey is INWKACBMKNIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.C22H26N6O.C20H24N6O.C20H21N5O3.C20H23N5O.C19H19F2N5O2.C19H20N6O2/c1-16-14-20(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;1-15-11-20(24-14-16-5-4-10-23-13-16)27-21(25-15)28-22(29)26-19-9-8-17-6-2-3-7-18(17)12-19;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/h4-9,14-15H,10-13H2,1-3H3,(H3,23,24,25,26,27,29);2-3,6-9,11-12,16,23H,4-5,10,13-14H2,1H3,(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-(piperidin-3-ylmethylamino)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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 2644.11 g/mol, XLogP of 26.01, 45 rotatable bonds, 25 hydrogen bond donors, and 36 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-(piperidin-3-ylmethylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 158754352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).