4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

C14H25N5 — CID 25128826

IUPAC4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C14H25N5/c1-5-18-6-8-19(9-7-18)12-10-11(14(2,3)4)16-13(15)17-12/h10H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyGHFPIOBFRSDFOH-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.50
Rot. Bonds2

About 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine

4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25128826) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25128826
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C14H25N5/c1-5-18-6-8-19(9-7-18)12-10-11(14(2,3)4)16-13(15)17-12/h10H,5-9H2,1-4H3,(H2,15,16,17)
InChIKeyGHFPIOBFRSDFOH-UHFFFAOYSA-N
XLogP1.50
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine (CID 25128826) is 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is CCN1CCN(c2cc(C(C)(C)C)nc(N)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is GHFPIOBFRSDFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-18-6-8-19(9-7-18)12-10-11(14(2,3)4)16-13(15)17-12/h10H,5-9H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine?
4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 263.39 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25128826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).