4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine

C19H26N6 — CID 19137255

IUPAC4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N6/c20-17-18(24-8-4-5-9-24)21-15-22-19(17)25-12-10-23(11-13-25)14-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,20H2
InChIKeyFZQJOIRJTIAMOH-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.98
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine

4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 19137255) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID19137255
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(N2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H26N6/c20-17-18(24-8-4-5-9-24)21-15-22-19(17)25-12-10-23(11-13-25)14-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,20H2
InChIKeyFZQJOIRJTIAMOH-UHFFFAOYSA-N
XLogP1.98
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
CID 19136894
6-(4-benzylpiperazin-1-yl)-4-N-cyclopentylpyrimidine-4,5-diamine
CID 19139366
4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
CID 19139393
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
4-(4-benzylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepine
CID 20910306
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
6-(4-benzylpiperazin-1-yl)-4-N-(3,4-difluorophenyl)pyrimidine-4,5-diamine
CID 19139365
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 19137255) is 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine is Nc1c(N2CCCC2)ncnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is FZQJOIRJTIAMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c20-17-18(24-8-4-5-9-24)21-15-22-19(17)25-12-10-23(11-13-25)14-16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14,20H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 338.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 19137255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).