N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C18H25N5 — CID 112896475

IUPACN,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(CC)c1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-3-21(4-2)17-10-11-19-18(20-17)23-14-12-22(13-15-23)16-8-6-5-7-9-16/h5-11H,3-4,12-15H2,1-2H3
InChIKeyLLDTZRVCGBINTD-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.65
Rot. Bonds5

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

N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112896475) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112896475
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC NameN,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCN(CC)c1ccnc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-3-21(4-2)17-10-11-19-18(20-17)23-14-12-22(13-15-23)16-8-6-5-7-9-16/h5-11H,3-4,12-15H2,1-2H3
InChIKeyLLDTZRVCGBINTD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-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,N-diethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112886592
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
N-ethyl-2-(4-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine
CID 112888148
ethyl 4-[4-[benzyl(ethyl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 112892902
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 112890848
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
[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,N-diethyl-2-phenyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112881555

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 112896475) is N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CCN(CC)c1ccnc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is LLDTZRVCGBINTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-21(4-2)17-10-11-19-18(20-17)23-14-12-22(13-15-23)16-8-6-5-7-9-16/h5-11H,3-4,12-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).