2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C16H24N4 — CID 122183040

IUPAC2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1CN1CCCCC1
InChIInChI=1S/C16H24N4/c1-16(2,3)14-13(12-19-9-5-4-6-10-19)20-11-7-8-17-15(20)18-14/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyKIWKYUQTDLLFCE-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.01
Rot. Bonds2

About 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122183040) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID122183040
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1CN1CCCCC1
InChIInChI=1S/C16H24N4/c1-16(2,3)14-13(12-19-9-5-4-6-10-19)20-11-7-8-17-15(20)18-14/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyKIWKYUQTDLLFCE-UHFFFAOYSA-N
XLogP3.01
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 122183040) is 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is CC(C)(C)c1nc2ncccn2c1CN1CCCCC1.
What is the InChIKey of 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is KIWKYUQTDLLFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,3)14-13(12-19-9-5-4-6-10-19)20-11-7-8-17-15(20)18-14/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 272.40 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).