1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide

C147H161N45O11 — CID 158088712

About 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide

1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 158088712) has the molecular formula C147H161N45O11 and a molecular weight of 2734.21 g/mol. Its IUPAC name is 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide
• PubChem CID: 158088712
• Molecular Formula: C147H161N45O11
• Molecular Weight: 2734.21 g/mol
• Exact Mass: 2732.34
• IUPAC Name: 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide
• SMILES: CNC(=O)CCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CONc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(N)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NO)nc(NC(=O)Nc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C21H26N6O.C20H22N6O2.C20H24N6O.C19H22N6O.C18H20N6O.C17H17N5O2.C16H15N5O2.C16H15N5O/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-13-11-17(22-10-9-18(27)21-2)25-19(23-13)26-20(28)24-16-8-7-14-5-3-4-6-15(14)12-16;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-13-11-17(21-10-4-9-20)24-18(22-13)25-19(26)23-16-8-7-14-5-2-3-6-15(14)12-16;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-11-9-15(22-24-2)20-16(18-11)21-17(23)19-14-8-7-12-5-3-4-6-13(12)10-14;1-10-8-14(21-23)19-15(17-10)20-16(22)18-13-7-6-11-4-2-3-5-12(11)9-13;1-10-8-14(17)20-15(18-10)21-16(22)19-13-7-6-11-4-2-3-5-12(11)9-13/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);3-8,11-12H,9-10H2,1-2H3,(H,21,27)(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);3-10H,1-2H3,(H3,18,19,20,21,22,23);2-9,23H,1H3,(H3,17,18,19,20,21,22);2-9H,1H3,(H4,17,18,19,20,21,22)
• InChIKey: FNVHBLLFTLSBDY-UHFFFAOYSA-N
• XLogP: 27.03
• TPSA: 762.59 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2734.21
LogP ≤ 5	27.03
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	39

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-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?

The IUPAC name of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide (CID 158088712) is 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide.

What is the SMILES notation for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?

The canonical SMILES for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide is CNC(=O)CCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.CONc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(N)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCN)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NO)nc(NC(=O)Nc2ccc3ccccc3c2)n1.

What is the InChIKey of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?

The InChIKey is FNVHBLLFTLSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O.C20H22N6O2.C20H24N6O.C19H22N6O.C18H20N6O.C17H17N5O2.C16H15N5O2.C16H15N5O/c1-15-13-19(22-11-6-12-27(2)3)25-20(23-15)26-21(28)24-18-10-9-16-7-4-5-8-17(16)14-18;1-13-11-17(22-10-9-18(27)21-2)25-19(23-13)26-20(28)24-16-8-7-14-5-3-4-6-15(14)12-16;1-14-12-18(21-10-11-26(2)3)24-19(22-14)25-20(27)23-17-9-8-15-6-4-5-7-16(15)13-17;1-13-11-17(21-10-4-9-20)24-18(22-13)25-19(26)23-16-8-7-14-5-2-3-6-15(14)12-16;1-12-10-16(20-9-8-19)23-17(21-12)24-18(25)22-15-7-6-13-4-2-3-5-14(13)11-15;1-11-9-15(22-24-2)20-16(18-11)21-17(23)19-14-8-7-12-5-3-4-6-13(12)10-14;1-10-8-14(21-23)19-15(17-10)20-16(22)18-13-7-6-11-4-2-3-5-12(11)9-13;1-10-8-14(17)20-15(18-10)21-16(22)19-13-7-6-11-4-2-3-5-12(11)9-13/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H3,22,23,24,25,26,28);3-8,11-12H,9-10H2,1-2H3,(H,21,27)(H3,22,23,24,25,26,28);4-9,12-13H,10-11H2,1-3H3,(H3,21,22,23,24,25,27);2-3,5-8,11-12H,4,9-10,20H2,1H3,(H3,21,22,23,24,25,26);2-7,10-11H,8-9,19H2,1H3,(H3,20,21,22,23,24,25);3-10H,1-2H3,(H3,18,19,20,21,22,23);2-9,23H,1H3,(H3,17,18,19,20,21,22);2-9H,1H3,(H4,17,18,19,20,21,22).

What are the key properties of 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide?

1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 2734.21 g/mol, XLogP of 27.03, 39 rotatable bonds, 28 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-(4-amino-6-methylpyrimidin-2-yl)-3-naphthalen-2-ylurea;1-[4-(3-aminopropylamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[2-(dimethylamino)ethylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-[3-(dimethylamino)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-(methoxyamino)-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;N-methyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 158088712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).