N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine

C23H27N5 — CID 112890975

IUPACN-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-26(18-20-8-4-2-5-9-20)23-24-13-12-22(25-23)28-16-14-27(15-17-28)19-21-10-6-3-7-11-21/h2-13H,14-19H2,1H3
InChIKeyRSOQNBIBKHXHEY-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.44
Rot. Bonds6

About N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine

N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 112890975) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID112890975
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C23H27N5/c1-26(18-20-8-4-2-5-9-20)23-24-13-12-22(25-23)28-16-14-27(15-17-28)19-21-10-6-3-7-11-21/h2-13H,14-19H2,1H3
InChIKeyRSOQNBIBKHXHEY-UHFFFAOYSA-N
XLogP3.44
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
N-benzyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpyrimidin-2-amine
CID 112890988
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
N-benzyl-N-ethyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884459
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
CID 75470946
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
N-benzyl-4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 112887960
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine (CID 112890975) is N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine is CN(Cc1ccccc1)c1nccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is RSOQNBIBKHXHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-26(18-20-8-4-2-5-9-20)23-24-13-12-22(25-23)28-16-14-27(15-17-28)19-21-10-6-3-7-11-21/h2-13H,14-19H2,1H3.
What are the key properties of N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine?
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112890975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).