N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C16H21N5 — CID 46891016

IUPACN-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5/c1-20-9-11-21(12-10-20)16-17-8-7-15(19-16)18-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,19)
InChIKeyRIUXJXNHHCERLO-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.84
Rot. Bonds4

About N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 46891016) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID46891016
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC NameN-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(NCc3ccccc3)n2)CC1
InChIInChI=1S/C16H21N5/c1-20-9-11-21(12-10-20)16-17-8-7-15(19-16)18-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,19)
InChIKeyRIUXJXNHHCERLO-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 46891016) is N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CN1CCN(c2nccc(NCc3ccccc3)n2)CC1.
What is the InChIKey of N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is RIUXJXNHHCERLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-20-9-11-21(12-10-20)16-17-8-7-15(19-16)18-13-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 46891016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).