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

C15H26N4 — CID 80961329

IUPAC2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-5-11-6-8-19(9-7-11)13-10-12(16)17-14(18-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyQNIVTFZGNQYSTG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.98
Rot. Bonds2

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

2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80961329) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID80961329
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCC1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-5-11-6-8-19(9-7-11)13-10-12(16)17-14(18-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyQNIVTFZGNQYSTG-UHFFFAOYSA-N
XLogP2.98
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine (CID 80961329) is 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine is CCC1CCN(c2cc(N)nc(C(C)(C)C)n2)CC1.
What is the InChIKey of 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is QNIVTFZGNQYSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-11-6-8-19(9-7-11)13-10-12(16)17-14(18-13)15(2,3)4/h10-11H,5-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine?
2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-ethylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80961329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).