[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone

C30H30N4O2 — CID 46073682

About [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone

[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone (PubChem CID 46073682) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone.

Molecular Properties

• Compound Name: [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
• PubChem CID: 46073682
• Molecular Formula: C30H30N4O2
• Molecular Weight: 478.60 g/mol
• Exact Mass: 478.24
• IUPAC Name: [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
• SMILES: Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)c2cccc(C)c2)CC3)c1
• InChI: InChI=1S/C30H30N4O2/c1-21-9-7-13-24(17-21)29(35)34-16-15-27-26(20-34)28(36-25-14-8-10-22(2)18-25)32-30(31-27)33(3)19-23-11-5-4-6-12-23/h4-14,17-18H,15-16,19-20H2,1-3H3
• InChIKey: HPKSDPNCRCBWFH-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.60
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone?

The IUPAC name of [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone (CID 46073682) is [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone.

What is the SMILES notation for [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone?

The canonical SMILES for [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone is Cc1cccc(Oc2nc(N(C)Cc3ccccc3)nc3c2CN(C(=O)c2cccc(C)c2)CC3)c1.

What is the InChIKey of [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone?

The InChIKey is HPKSDPNCRCBWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-21-9-7-13-24(17-21)29(35)34-16-15-27-26(20-34)28(36-25-14-8-10-22(2)18-25)32-30(31-27)33(3)19-23-11-5-4-6-12-23/h4-14,17-18H,15-16,19-20H2,1-3H3.

What are the key properties of [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone?

[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone has a molecular weight of 478.60 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 46073682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).