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

C13H22N6 — CID 25130912

IUPAC4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C13H22N6/c1-17-6-8-19(9-7-17)12-10-11(15-13(14)16-12)18-4-2-3-5-18/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyYSAYBGMJMWXFOR-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.41
Rot. Bonds2

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

4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 25130912) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID25130912
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C13H22N6/c1-17-6-8-19(9-7-17)12-10-11(15-13(14)16-12)18-4-2-3-5-18/h10H,2-9H2,1H3,(H2,14,15,16)
InChIKeyYSAYBGMJMWXFOR-UHFFFAOYSA-N
XLogP0.41
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.41
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-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 25130912) is 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine is CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is YSAYBGMJMWXFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-17-6-8-19(9-7-17)12-10-11(15-13(14)16-12)18-4-2-3-5-18/h10H,2-9H2,1H3,(H2,14,15,16).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 0.41, 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-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 25130912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).