4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C14H24N6 — CID 24797598

IUPAC4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(17-14(15)18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyXUICXFGTHQTVRJ-UHFFFAOYSA-N
MW276.39 g/mol
LogP1.17
Rot. Bonds3

About 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 24797598) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID24797598
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1
InChIInChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(17-14(15)18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18)
InChIKeyXUICXFGTHQTVRJ-UHFFFAOYSA-N
XLogP1.17
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 24797598) is 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CN1CCN(c2cc(NC3CCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is XUICXFGTHQTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(17-14(15)18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 276.39 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24797598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).