N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

C15H18ClN5 — CID 91209458

IUPACN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESClc1ccc(CN2CCN(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C15H18ClN5/c16-14-4-2-13(3-5-14)12-20-8-10-21(11-9-20)19-15-17-6-1-7-18-15/h1-7H,8-12H2,(H,17,18,19)
InChIKeyXXDGFSUUJKBVDV-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.27
Rot. Bonds4

About N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 91209458) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID91209458
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC NameN-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESClc1ccc(CN2CCN(Nc3ncccn3)CC2)cc1
InChIInChI=1S/C15H18ClN5/c16-14-4-2-13(3-5-14)12-20-8-10-21(11-9-20)19-15-17-6-1-7-18-15/h1-7H,8-12H2,(H,17,18,19)
InChIKeyXXDGFSUUJKBVDV-UHFFFAOYSA-N
XLogP2.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-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-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 91035084
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8595561
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 66968326
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 34160717
1-[2-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)methyl]piperazine;dihydrochloride
CID 21275288
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
(4-chlorophenyl)-pyridin-2-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 71168693
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 51726510

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 91209458) is N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is Clc1ccc(CN2CCN(Nc3ncccn3)CC2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is XXDGFSUUJKBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-14-4-2-13(3-5-14)12-20-8-10-21(11-9-20)19-15-17-6-1-7-18-15/h1-7H,8-12H2,(H,17,18,19).
What are the key properties of N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine?
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 91209458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).