[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate

C29H30N4O3 — CID 68851709

About [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate

[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate (PubChem CID 68851709) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate.

Molecular Properties

• Compound Name: [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate
• PubChem CID: 68851709
• Molecular Formula: C29H30N4O3
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.23
• IUPAC Name: [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate
• SMILES: CC(C(O)c1ccccc1)N(C)C(=O)Oc1cnc(N(C)Cc2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C29H30N4O3/c1-21(27(34)24-17-11-6-12-18-24)33(3)29(35)36-25-19-30-28(31-26(25)23-15-9-5-10-16-23)32(2)20-22-13-7-4-8-14-22/h4-19,21,27,34H,20H2,1-3H3
• InChIKey: JOWUZAPUQKVGFE-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 78.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate?

The IUPAC name of [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate (CID 68851709) is [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate.

What is the SMILES notation for [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate?

The canonical SMILES for [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate is CC(C(O)c1ccccc1)N(C)C(=O)Oc1cnc(N(C)Cc2ccccc2)nc1-c1ccccc1.

What is the InChIKey of [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate?

The InChIKey is JOWUZAPUQKVGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-21(27(34)24-17-11-6-12-18-24)33(3)29(35)36-25-19-30-28(31-26(25)23-15-9-5-10-16-23)32(2)20-22-13-7-4-8-14-22/h4-19,21,27,34H,20H2,1-3H3.

What are the key properties of [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate?

[2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate has a molecular weight of 482.58 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(methyl)amino]-4-phenylpyrimidin-5-yl] N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylcarbamate is sourced from PubChem (CID 68851709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).