6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine

C17H24N6 — CID 19136894

IUPAC6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(N2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C17H24N6/c1-21(2)16-15(18)17(20-13-19-16)23-10-8-22(9-11-23)12-14-6-4-3-5-7-14/h3-7,13H,8-12,18H2,1-2H3
InChIKeyUYYRDXWSGZKSLJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.45
Rot. Bonds4

About 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine

6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine (PubChem CID 19136894) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
PubChem CID19136894
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCN(C)c1ncnc(N2CCN(Cc3ccccc3)CC2)c1N
InChIInChI=1S/C17H24N6/c1-21(2)16-15(18)17(20-13-19-16)23-10-8-22(9-11-23)12-14-6-4-3-5-7-14/h3-7,13H,8-12,18H2,1-2H3
InChIKeyUYYRDXWSGZKSLJ-UHFFFAOYSA-N
XLogP1.45
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
methyl 2-[[5-amino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-methylamino]benzoate
CID 19139370
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283
4-N,4-N-dimethyl-6-piperidin-1-ylpyrimidine-4,5-diamine
CID 19136884
6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
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
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
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine
CID 22539526
6-(4-benzylpiperazin-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19139295

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine (CID 19136894) is 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine is CN(C)c1ncnc(N2CCN(Cc3ccccc3)CC2)c1N.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The InChIKey is UYYRDXWSGZKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-21(2)16-15(18)17(20-13-19-16)23-10-8-22(9-11-23)12-14-6-4-3-5-7-14/h3-7,13H,8-12,18H2,1-2H3.
What are the key properties of 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine?
6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine has a molecular weight of 312.42 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 19136894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).