4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine

C19H21N5 — CID 25129880

IUPAC4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1
InChIInChI=1S/C19H21N5/c1-23-8-10-24(11-9-23)18-13-17(21-19(20)22-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,22)
InChIKeyFVLWYTOUDBDGFK-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.63
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine (PubChem CID 25129880) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
PubChem CID25129880
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1
InChIInChI=1S/C19H21N5/c1-23-8-10-24(11-9-23)18-13-17(21-19(20)22-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,22)
InChIKeyFVLWYTOUDBDGFK-UHFFFAOYSA-N
XLogP2.63
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine (CID 25129880) is 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine is CN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine?
The InChIKey is FVLWYTOUDBDGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-23-8-10-24(11-9-23)18-13-17(21-19(20)22-18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13H,8-11H2,1H3,(H2,20,21,22).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 25129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).