(4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

C23H28N6O2 — CID 7447000

About (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 7447000) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
• PubChem CID: 7447000
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccn4)CC3)=N2)cc1
• InChI: InChI=1S/C23H28N6O2/c1-16(2)17-6-8-18(9-7-17)25-22(31)19-15-21(30)27-23(26-19)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,16,19H,11-15H2,1-2H3,(H,25,31)(H,26,27,30)/t19-/m1/s1
• InChIKey: KQHOSLURABJCQO-LJQANCHMSA-N
• XLogP: 2.21
• TPSA: 89.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The IUPAC name of (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 7447000) is (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The canonical SMILES for (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CC(=O)NC(N3CCN(c4ccccn4)CC3)=N2)cc1.

What is the InChIKey of (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The InChIKey is KQHOSLURABJCQO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16(2)17-6-8-18(9-7-17)25-22(31)19-15-21(30)27-23(26-19)29-13-11-28(12-14-29)20-5-3-4-10-24-20/h3-10,16,19H,11-15H2,1-2H3,(H,25,31)(H,26,27,30)/t19-/m1/s1.

What are the key properties of (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide?

(4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-oxo-N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 7447000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).