1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

C19H23N7O — CID 51122742

IUPAC1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
SMILESN#Cc1ccc(CNC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N7O/c20-14-16-2-4-17(5-3-16)15-24-19(27)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7H,8-13,15H2,(H2,23,24,27)
InChIKeyCFSHOOUOWPCWHH-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.97
Rot. Bonds6

About 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea

1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea (PubChem CID 51122742) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
PubChem CID51122742
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
SMILESN#Cc1ccc(CNC(=O)NCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H23N7O/c20-14-16-2-4-17(5-3-16)15-24-19(27)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7H,8-13,15H2,(H2,23,24,27)
InChIKeyCFSHOOUOWPCWHH-UHFFFAOYSA-N
XLogP0.97
TPSA97.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 55793544
4-[[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]methyl]benzonitrile
CID 119108490
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 56815524
1-[2-(3-fluorophenyl)ethyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 55922334
2-(4-cyanophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 46577048
1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 55922845
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
CID 55992757
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 11702585
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
1-(2,3-dihydro-1H-inden-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 51118566

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea (CID 51122742) is 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea is N#Cc1ccc(CNC(=O)NCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
The InChIKey is CFSHOOUOWPCWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c20-14-16-2-4-17(5-3-16)15-24-19(27)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7H,8-13,15H2,(H2,23,24,27).
What are the key properties of 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea?
1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea has a molecular weight of 365.44 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 51122742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).