2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

C23H27N5 — CID 112890533

IUPAC2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1ccnc(N2CCN(Cc3ccccc3)CC2)n1)c1ccccc1
InChIInChI=1S/C23H27N5/c1-19(21-10-6-3-7-11-21)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)18-20-8-4-2-5-9-20/h2-13,19H,14-18H2,1H3,(H,24,25,26)
InChIKeyLPRDPOBXEJDFOP-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.97
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112890533) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112890533
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1ccnc(N2CCN(Cc3ccccc3)CC2)n1)c1ccccc1
InChIInChI=1S/C23H27N5/c1-19(21-10-6-3-7-11-21)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)18-20-8-4-2-5-9-20/h2-13,19H,14-18H2,1H3,(H,24,25,26)
InChIKeyLPRDPOBXEJDFOP-UHFFFAOYSA-N
XLogP3.97
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112888381
2-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 112896348
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
N-benzyl-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 54582423
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
3-(4-benzylpiperazin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-5-amine
CID 112955377
2-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109302377
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
2-(4-benzylpiperazin-1-yl)-N-butyl-N-methylpyrimidin-4-amine
CID 112896327

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (CID 112890533) is 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is CC(Nc1ccnc(N2CCN(Cc3ccccc3)CC2)n1)c1ccccc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is LPRDPOBXEJDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-19(21-10-6-3-7-11-21)25-22-12-13-24-23(26-22)28-16-14-27(15-17-28)18-20-8-4-2-5-9-20/h2-13,19H,14-18H2,1H3,(H,24,25,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112890533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).