N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H30N6 — CID 112870213

IUPACN-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H30N6/c1-17-22-19(21-9-10-24(2)3)15-20(23-17)26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h4-8,15H,9-14,16H2,1-3H3,(H,21,22,23)
InChIKeyHOSKNCGCWNTABA-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.08
Rot. Bonds7

About N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 112870213) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID112870213
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C20H30N6/c1-17-22-19(21-9-10-24(2)3)15-20(23-17)26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h4-8,15H,9-14,16H2,1-3H3,(H,21,22,23)
InChIKeyHOSKNCGCWNTABA-UHFFFAOYSA-N
XLogP2.08
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

N-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870251
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873221
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870514
2-methyl-N-(2-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112873690
ethyl 4-[6-[2-(dimethylamino)ethylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112870224
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109372587
N-[3-(4-benzylpiperazin-1-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112945449
2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870536
N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
6-(4-benzylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360619

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 112870213) is N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is Cc1nc(NCCN(C)C)cc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is HOSKNCGCWNTABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-17-22-19(21-9-10-24(2)3)15-20(23-17)26-13-11-25(12-14-26)16-18-7-5-4-6-8-18/h4-8,15H,9-14,16H2,1-3H3,(H,21,22,23).
What are the key properties of N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 354.50 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 112870213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).