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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea

C144H146F8N42O12 — CID 158071566

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea (PubChem CID 158071566) has the molecular formula C144H146F8N42O12 and a molecular weight of 2809.02 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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea.

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea
• PubChem CID: 158071566
• Molecular Formula: C144H146F8N42O12
• Molecular Weight: 2809.02 g/mol
• Exact Mass: 2807.20
• 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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea
• SMILES: CONc1nc(NC(=O)Nc2ccc3cc(C)ccc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccccc3c2)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.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(N)c1F.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(NCCCN(C)C)c1F.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(NO)c1F
• InChI: InChI=1S/C22H27FN6O.C21H25FN6O.C18H18FN5O2.2C17H16FN5O2.C17H16FN5O.C16H14FN5O2.C16H14FN5O/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;1-14-18(22)19(23-11-6-12-28(2)3)26-20(24-14)27-21(29)25-17-10-9-15-7-4-5-8-16(15)13-17;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;1-9-3-4-12-8-13(6-5-11(12)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-10-14(18)15(23-25-2)21-16(19-10)22-17(24)20-13-8-7-11-5-3-4-6-12(11)9-13;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;1-9-13(17)14(22-24)20-15(18-9)21-16(23)19-12-7-6-10-4-2-3-5-11(10)8-12;1-9-13(17)14(18)21-15(19-9)22-16(23)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);4-5,7-10,13H,6,11-12H2,1-3H3,(H3,23,24,25,26,27,29);4-9H,1-3H3,(H3,20,21,22,23,24,25);3-8,25H,1-2H3,(H3,19,20,21,22,23,24);3-9H,1-2H3,(H3,19,20,21,22,23,24);3-8H,1-2H3,(H4,19,20,21,22,23,24);2-8,24H,1H3,(H3,18,19,20,21,22,23);2-8H,1H3,(H4,18,19,20,21,22,23)
• InChIKey: FLWNMUCPIRWPPG-UHFFFAOYSA-N
• XLogP: 30.44
• TPSA: 724.90 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2809.02
LogP ≤ 5	30.44
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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea?

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea (CID 158071566) 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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea.

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea?

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea is CONc1nc(NC(=O)Nc2ccc3cc(C)ccc3c2)nc(C)c1F.CONc1nc(NC(=O)Nc2ccc3ccccc3c2)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.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(N)c1F.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(NCCCN(C)C)c1F.Cc1nc(NC(=O)Nc2ccc3ccccc3c2)nc(NO)c1F.

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea?

The InChIKey is FLWNMUCPIRWPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O.C21H25FN6O.C18H18FN5O2.2C17H16FN5O2.C17H16FN5O.C16H14FN5O2.C16H14FN5O/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;1-14-18(22)19(23-11-6-12-28(2)3)26-20(24-14)27-21(29)25-17-10-9-15-7-4-5-8-16(15)13-17;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;1-9-3-4-12-8-13(6-5-11(12)7-9)20-17(24)22-16-19-10(2)14(18)15(21-16)23-25;1-10-14(18)15(23-25-2)21-16(19-10)22-17(24)20-13-8-7-11-5-3-4-6-12(11)9-13;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;1-9-13(17)14(22-24)20-15(18-9)21-16(23)19-12-7-6-10-4-2-3-5-11(10)8-12;1-9-13(17)14(18)21-15(19-9)22-16(23)20-12-7-6-10-4-2-3-5-11(10)8-12/h6-9,12-13H,5,10-11H2,1-4H3,(H3,24,25,26,27,28,30);4-5,7-10,13H,6,11-12H2,1-3H3,(H3,23,24,25,26,27,29);4-9H,1-3H3,(H3,20,21,22,23,24,25);3-8,25H,1-2H3,(H3,19,20,21,22,23,24);3-9H,1-2H3,(H3,19,20,21,22,23,24);3-8H,1-2H3,(H4,19,20,21,22,23,24);2-8,24H,1H3,(H3,18,19,20,21,22,23);2-8H,1H3,(H4,18,19,20,21,22,23).

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea?

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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea has a molecular weight of 2809.02 g/mol, XLogP of 30.44, 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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea;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-naphthalen-2-ylurea is sourced from PubChem (CID 158071566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).