2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine

C12H15F2N3 — CID 176738892

IUPAC2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine
SMILESCc1c(C(C)(C)C)nc2cc(C(F)F)ncn12
InChIInChI=1S/C12H15F2N3/c1-7-10(12(2,3)4)16-9-5-8(11(13)14)15-6-17(7)9/h5-6,11H,1-4H3
InChIKeyKJUXQQZBRYSUGD-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.27
Rot. Bonds1

About 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine

2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine (PubChem CID 176738892) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine
PubChem CID176738892
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine
SMILESCc1c(C(C)(C)C)nc2cc(C(F)F)ncn12
InChIInChI=1S/C12H15F2N3/c1-7-10(12(2,3)4)16-9-5-8(11(13)14)15-6-17(7)9/h5-6,11H,1-4H3
InChIKeyKJUXQQZBRYSUGD-UHFFFAOYSA-N
XLogP3.27
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine (CID 176738892) is 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine is Cc1c(C(C)(C)C)nc2cc(C(F)F)ncn12.
What is the InChIKey of 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine?
The InChIKey is KJUXQQZBRYSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7-10(12(2,3)4)16-9-5-8(11(13)14)15-6-17(7)9/h5-6,11H,1-4H3.
What are the key properties of 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine?
2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine has a molecular weight of 239.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(difluoromethyl)-3-methylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).