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

C14H24N4 — CID 25128825

IUPAC4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)12-9-11(16-13(15)17-12)10-5-7-18(4)8-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyITSHNBQAFUWYQA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.17
Rot. Bonds1

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

4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 25128825) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID25128825
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1
InChIInChI=1S/C14H24N4/c1-14(2,3)12-9-11(16-13(15)17-12)10-5-7-18(4)8-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17)
InChIKeyITSHNBQAFUWYQA-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 25128825) is 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine is CN1CCC(c2cc(C(C)(C)C)nc(N)n2)CC1.
What is the InChIKey of 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is ITSHNBQAFUWYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-14(2,3)12-9-11(16-13(15)17-12)10-5-7-18(4)8-6-10/h9-10H,5-8H2,1-4H3,(H2,15,16,17).
What are the key properties of 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 25128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).