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

C13H24N6 — CID 54585781

IUPAC6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyLJUOJSBZZTZROX-UHFFFAOYSA-N
MW264.38 g/mol
LogP0.88
Rot. Bonds4

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

6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 54585781) has the molecular formula C13H24N6 and a molecular weight of 264.38 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID54585781
Molecular FormulaC13H24N6
Molecular Weight264.38 g/mol
Exact Mass264.21
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyLJUOJSBZZTZROX-UHFFFAOYSA-N
XLogP0.88
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 54585781) is 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is LJUOJSBZZTZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 264.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54585781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).