N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C22H25N5 — CID 112896496

IUPACN-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5/c1-2-18-8-6-7-11-20(18)24-21-12-13-23-22(25-21)27-16-14-26(15-17-27)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,23,24,25)
InChIKeyGZFWOMGBQODQJU-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.11
Rot. Bonds5

About N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112896496) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112896496
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C22H25N5/c1-2-18-8-6-7-11-20(18)24-21-12-13-23-22(25-21)27-16-14-26(15-17-27)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,23,24,25)
InChIKeyGZFWOMGBQODQJU-UHFFFAOYSA-N
XLogP4.11
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine 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

N-(2-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898840
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
2-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112896544
[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]hydrazine
CID 94672786
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
N-(2-ethylphenyl)-2-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875594
N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896522
N-(2,4-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896526
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
N-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112896577
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-phenylpyrimidin-4-amine
CID 112901716
N-(2-ethylphenyl)-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112955465

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112896496) is N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CCc1ccccc1Nc1ccnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is GZFWOMGBQODQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-2-18-8-6-7-11-20(18)24-21-12-13-23-22(25-21)27-16-14-26(15-17-27)19-9-4-3-5-10-19/h3-13H,2,14-17H2,1H3,(H,23,24,25).
What are the key properties of N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 359.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112896496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).