1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea

C148H154F8N42O12 — CID 160583569

About 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea

1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea (PubChem CID 160583569) has the molecular formula C148H154F8N42O12 and a molecular weight of 2865.13 g/mol. Its IUPAC name is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea.

Molecular Properties

• Compound Name: 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
• PubChem CID: 160583569
• Molecular Formula: C148H154F8N42O12
• Molecular Weight: 2865.13 g/mol
• Exact Mass: 2863.26
• IUPAC Name: 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea
• SMILES: CONc1nc(NC(=O)Nc2ccc3cc(C)ccc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccc(C)cc3c2)nc(C)c1F.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2c1.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2c1.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(N)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NO)n3)cc2c1
• InChI: InChI=1S/2C22H27FN6O.2C18H18FN5O2.2C17H16FN5O2.2C17H16FN5O/c1-14-6-7-17-13-18(9-8-16(17)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-14-6-7-16-8-9-18(13-17(16)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-10-4-5-13-9-14(7-6-12(13)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-10-4-5-12-6-7-14(9-13(12)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-9-3-4-12-8-13(6-5-11(12)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-11-5-6-13(8-12(11)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-12-8-13(6-5-11(12)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16;1-9-3-4-11-5-6-13(8-12(11)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16/h2*6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);2*4-9H,1-3H3,(H3,20,21,22,23,24,25);2*3-8,25H,1-2H3,(H3,19,20,21,22,23,24);2*3-8H,1-2H3,(H4,19,20,21,22,23,24)
• InChIKey: RCCFXKMJQPFKIP-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 724.90 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2865.13
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea?

The IUPAC name of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea (CID 160583569) is 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea.

What is the SMILES notation for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea?

The canonical SMILES for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea is CONc1nc(NC(=O)Nc2ccc3cc(C)ccc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccc(C)cc3c2)nc(C)c1F.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(N)n3)ccc2c1.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)ccc2c1.Cc1ccc2cc(NC(=O)Nc3nc(C)c(F)c(NO)n3)ccc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(N)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NCCCN(C)C)n3)cc2c1.Cc1ccc2ccc(NC(=O)Nc3nc(C)c(F)c(NO)n3)cc2c1.

What is the InChIKey of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea?

The InChIKey is RCCFXKMJQPFKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27FN6O.2C18H18FN5O2.2C17H16FN5O2.2C17H16FN5O/c1-14-6-7-17-13-18(9-8-16(17)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-14-6-7-16-8-9-18(13-17(16)12-14)26-22(30)28-21-25-15(2)19(23)20(27-21)24-10-5-11-29(3)4;1-10-4-5-13-9-14(7-6-12(13)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-10-4-5-12-6-7-14(9-13(12)8-10)21-18(25)23-17-20-11(2)15(19)16(22-17)24-26-3;1-9-3-4-12-8-13(6-5-11(12)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-11-5-6-13(8-12(11)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-9-3-4-12-8-13(6-5-11(12)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16;1-9-3-4-11-5-6-13(8-12(11)7-9)21-17(24)23-16-20-10(2)14(18)15(19)22-16/h2*6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);2*4-9H,1-3H3,(H3,20,21,22,23,24,25);2*3-8,25H,1-2H3,(H3,19,20,21,22,23,24);2*3-8H,1-2H3,(H4,19,20,21,22,23,24).

What are the key properties of 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea?

1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea has a molecular weight of 2865.13 g/mol, XLogP of 31.68, 32 rotatable bonds, 26 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(6-methylnaphthalen-2-yl)urea;1-(4-amino-5-fluoro-6-methylpyrimidin-2-yl)-3-(7-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[4-[3-(dimethylamino)propylamino]-5-fluoro-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(6-methylnaphthalen-2-yl)urea;1-[5-fluoro-4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-(7-methylnaphthalen-2-yl)urea is sourced from PubChem (CID 160583569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).