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

C14H24N6 — CID 24798595

IUPAC4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6/c1-18-7-9-20(10-8-18)13-11-12(16-14(15)17-13)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H2,15,16,17)
InChIKeyINGFFZLZQUJWBO-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.80
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine (PubChem CID 24798595) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
PubChem CID24798595
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6/c1-18-7-9-20(10-8-18)13-11-12(16-14(15)17-13)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H2,15,16,17)
InChIKeyINGFFZLZQUJWBO-UHFFFAOYSA-N
XLogP0.80
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine (CID 24798595) is 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine is CN1CCN(c2cc(N3CCCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is INGFFZLZQUJWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-18-7-9-20(10-8-18)13-11-12(16-14(15)17-13)19-5-3-2-4-6-19/h11H,2-10H2,1H3,(H2,15,16,17).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 276.39 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 24798595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).