2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine

C15H16N4 — CID 72882257

IUPAC2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1-c1cccnc1
InChIInChI=1S/C15H16N4/c1-15(2,3)13-12(11-6-4-7-16-10-11)19-9-5-8-17-14(19)18-13/h4-10H,1-3H3
InChIKeyNMHQMVDHBLRKNA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.09
Rot. Bonds1

About 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine

2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine (PubChem CID 72882257) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine
PubChem CID72882257
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1-c1cccnc1
InChIInChI=1S/C15H16N4/c1-15(2,3)13-12(11-6-4-7-16-10-11)19-9-5-8-17-14(19)18-13/h4-10H,1-3H3
InChIKeyNMHQMVDHBLRKNA-UHFFFAOYSA-N
XLogP3.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.09
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-pyridin-3-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine (CID 72882257) is 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine is CC(C)(C)c1nc2ncccn2c1-c1cccnc1.
What is the InChIKey of 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine?
The InChIKey is NMHQMVDHBLRKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-15(2,3)13-12(11-6-4-7-16-10-11)19-9-5-8-17-14(19)18-13/h4-10H,1-3H3.
What are the key properties of 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine?
2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine has a molecular weight of 252.32 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-pyridin-3-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 72882257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).