2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine

C17H23N5 — CID 124576011

IUPAC2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1Cc1nccc(N)n1
InChIInChI=1S/C17H23N5/c1-14-11-21(12-15-5-3-2-4-6-15)9-10-22(14)13-17-19-8-7-16(18)20-17/h2-8,14H,9-13H2,1H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyNTLLYAGFNHDQJX-CQSZACIVSA-N
MW297.41 g/mol
LogP1.77
Rot. Bonds4

About 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine

2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine (PubChem CID 124576011) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
PubChem CID124576011
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2ccccc2)CCN1Cc1nccc(N)n1
InChIInChI=1S/C17H23N5/c1-14-11-21(12-15-5-3-2-4-6-15)9-10-22(14)13-17-19-8-7-16(18)20-17/h2-8,14H,9-13H2,1H3,(H2,18,19,20)/t14-/m1/s1
InChIKeyNTLLYAGFNHDQJX-CQSZACIVSA-N
XLogP1.77
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine (CID 124576011) is 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine is C[C@@H]1CN(Cc2ccccc2)CCN1Cc1nccc(N)n1.
What is the InChIKey of 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is NTLLYAGFNHDQJX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-11-21(12-15-5-3-2-4-6-15)9-10-22(14)13-17-19-8-7-16(18)20-17/h2-8,14H,9-13H2,1H3,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine?
2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-4-benzyl-2-methylpiperazin-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 124576011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).