1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide

C26H38N8O3 — CID 154651035

About 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide

1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide (PubChem CID 154651035) has the molecular formula C26H38N8O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide.

Molecular Properties

• Compound Name: 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide
• PubChem CID: 154651035
• Molecular Formula: C26H38N8O3
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.31
• IUPAC Name: 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide
• SMILES: CC1CN(Cc2ccc(-n3ccc(N4CCN(C(=O)C(C)(C)N)CC4)nc3=O)cc2)CC=C1N.NC=O
• InChI: InChI=1S/C25H35N7O2.CH3NO/c1-18-16-29(10-8-21(18)26)17-19-4-6-20(7-5-19)32-11-9-22(28-24(32)34)30-12-14-31(15-13-30)23(33)25(2,3)27;2-1-3/h4-9,11,18H,10,12-17,26-27H2,1-3H3;1H,(H2,2,3)
• InChIKey: SFSJWXFLYTZJLD-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 156.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide?

The IUPAC name of 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide (CID 154651035) is 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide.

What is the SMILES notation for 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide?

The canonical SMILES for 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide is CC1CN(Cc2ccc(-n3ccc(N4CCN(C(=O)C(C)(C)N)CC4)nc3=O)cc2)CC=C1N.NC=O.

What is the InChIKey of 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide?

The InChIKey is SFSJWXFLYTZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2.CH3NO/c1-18-16-29(10-8-21(18)26)17-19-4-6-20(7-5-19)32-11-9-22(28-24(32)34)30-12-14-31(15-13-30)23(33)25(2,3)27;2-1-3/h4-9,11,18H,10,12-17,26-27H2,1-3H3;1H,(H2,2,3).

What are the key properties of 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide?

1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide has a molecular weight of 510.64 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(4-amino-3-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]-4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]pyrimidin-2-one;formamide is sourced from PubChem (CID 154651035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).