N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine

C18H25N5 — CID 166603212

IUPACN,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-21(2)17-8-10-19-18(20-17)23-14-12-22(13-15-23)11-9-16-6-4-3-5-7-16/h3-8,10H,9,11-15H2,1-2H3
InChIKeyDFRQFEZWOSQCGV-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.91
Rot. Bonds5

About N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 166603212) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID166603212
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(CCc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-21(2)17-8-10-19-18(20-17)23-14-12-22(13-15-23)11-9-16-6-4-3-5-7-16/h3-8,10H,9,11-15H2,1-2H3
InChIKeyDFRQFEZWOSQCGV-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-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

4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800426
2-(4-ethylpiperazin-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 112888401
2-(4-benzylpiperidin-1-yl)-N-methyl-N-phenylpyrimidin-4-amine
CID 112900795

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine (CID 166603212) is N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(CCc3ccccc3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is DFRQFEZWOSQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-21(2)17-8-10-19-18(20-17)23-14-12-22(13-15-23)11-9-16-6-4-3-5-7-16/h3-8,10H,9,11-15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 166603212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).