N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C23H33N7O2 — CID 154651586

About N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 154651586) has the molecular formula C23H33N7O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• PubChem CID: 154651586
• Molecular Formula: C23H33N7O2
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.27
• IUPAC Name: N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
• SMILES: NC1CCC(NCCc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)CC1
• InChI: InChI=1S/C23H33N7O2/c24-18-3-5-19(6-4-18)26-11-9-17-1-7-20(8-2-17)30-14-10-21(28-23(30)32)27-22(31)29-15-12-25-13-16-29/h1-2,7-8,10,14,18-19,25-26H,3-6,9,11-13,15-16,24H2,(H,27,28,31,32)
• InChIKey: JWTCTGRHWOARDM-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 117.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The IUPAC name of N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 154651586) is N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The canonical SMILES for N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is NC1CCC(NCCc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)CC1.

What is the InChIKey of N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

The InChIKey is JWTCTGRHWOARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O2/c24-18-3-5-19(6-4-18)26-11-9-17-1-7-20(8-2-17)30-14-10-21(28-23(30)32)27-22(31)29-15-12-25-13-16-29/h1-2,7-8,10,14,18-19,25-26H,3-6,9,11-13,15-16,24H2,(H,27,28,31,32).

What are the key properties of N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?

N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 1.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[(4-aminocyclohexyl)amino]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 154651586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).