6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C22H26N6 — CID 112873221

IUPAC6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccn2)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H26N6/c1-18-25-21(24-16-20-9-5-6-10-23-20)15-22(26-18)28-13-11-27(12-14-28)17-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,25,26)
InChIKeyHWLUGEMPTKPOBH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.11
Rot. Bonds6

About 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 112873221) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID112873221
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2ccccn2)cc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C22H26N6/c1-18-25-21(24-16-20-9-5-6-10-23-20)15-22(26-18)28-13-11-27(12-14-28)17-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,25,26)
InChIKeyHWLUGEMPTKPOBH-UHFFFAOYSA-N
XLogP3.11
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112871532
6-[4-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112873258
N-[6-(4-benzylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 112870213
2-methyl-N-(2-phenylethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112873704
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
4-N-benzyl-4-N,2-dimethyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112872175
4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163
6-methyl-2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112919106
6-(4-benzylpiperazin-1-yl)-N-tert-butyl-2-methylpyrimidine-4-carboxamide
CID 109372587
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109368374
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 112873221) is 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is Cc1nc(NCc2ccccn2)cc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is HWLUGEMPTKPOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-18-25-21(24-16-20-9-5-6-10-23-20)15-22(26-18)28-13-11-27(12-14-28)17-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-(4-benzylpiperazin-1-yl)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.11, 6 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)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112873221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).