N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

C21H23ClN6 — CID 112897043

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H23ClN6/c22-18-6-4-17(5-7-18)8-11-23-19-9-12-25-21(26-19)28-15-13-27(14-16-28)20-3-1-2-10-24-20/h1-7,9-10,12H,8,11,13-16H2,(H,23,25,26)
InChIKeyHLHYHWGPFUPHKU-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine

N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 112897043) has the molecular formula C21H23ClN6 and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID112897043
Molecular FormulaC21H23ClN6
Molecular Weight394.91 g/mol
Exact Mass394.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESClc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C21H23ClN6/c22-18-6-4-17(5-7-18)8-11-23-19-9-12-25-21(26-19)28-15-13-27(14-16-28)20-3-1-2-10-24-20/h1-7,9-10,12H,8,11,13-16H2,(H,23,25,26)
InChIKeyHLHYHWGPFUPHKU-UHFFFAOYSA-N
XLogP3.51
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112891904
N-(3-phenylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898819
1-[4-[4-[2-(4-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889003
N-(2-phenoxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081146
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
N-[2-(3-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888142
4-[4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888740
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
N-[2-(2,4-dichlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888143

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine (CID 112897043) is N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is Clc1ccc(CCNc2ccnc(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is HLHYHWGPFUPHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6/c22-18-6-4-17(5-7-18)8-11-23-19-9-12-25-21(26-19)28-15-13-27(14-16-28)20-3-1-2-10-24-20/h1-7,9-10,12H,8,11,13-16H2,(H,23,25,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 394.91 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112897043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).