2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine

C15H18ClN5 — CID 86161525

IUPAC2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C15H18ClN5/c16-13-10-14(17)19-15(18-13)21-8-6-20(7-9-21)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,18,19)
InChIKeyBLPDUQAMCPQMKZ-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.03
Rot. Bonds3

About 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine (PubChem CID 86161525) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
PubChem CID86161525
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine
SMILESNc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C15H18ClN5/c16-13-10-14(17)19-15(18-13)21-8-6-20(7-9-21)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,18,19)
InChIKeyBLPDUQAMCPQMKZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
2-(4-benzylpiperazin-1-yl)-6-chloropyridin-4-amine
CID 104918654
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
4-(4-benzylpiperazin-1-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 112746482
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
4-(4-benzylpiperazin-1-yl)-5-bromopyridin-2-amine
CID 130949923
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460
6-(4-benzylpiperazin-1-yl)-4-(4-fluorophenyl)-2-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42667834
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
2-benzyl-6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-4-(3-fluorophenyl)pyrazolo[3,4-d]pyrimidin-3-amine
CID 42808324

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine (CID 86161525) is 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine is Nc1cc(Cl)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine?
The InChIKey is BLPDUQAMCPQMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-13-10-14(17)19-15(18-13)21-8-6-20(7-9-21)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,18,19).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine has a molecular weight of 303.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 86161525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).