4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine

C18H25N5 — CID 112881929

IUPAC4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-2-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3,(H,19,20,21)
InChIKeyFOGFJDUWIAJQGR-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.62
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine

4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine (PubChem CID 112881929) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
PubChem CID112881929
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-2-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3,(H,19,20,21)
InChIKeyFOGFJDUWIAJQGR-UHFFFAOYSA-N
XLogP2.62
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112891536
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 112881940
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
4-(4-benzylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidin-2-amine
CID 112896317
4-(4-benzylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidin-2-amine
CID 112896286
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
5-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943516
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine (CID 112881929) is 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine is CCCNc1nccc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
The InChIKey is FOGFJDUWIAJQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine?
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 112881929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).