2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine

C12H19N3 — CID 116893271

IUPAC2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
SMILESCc1cc(C(C)(C)C)nc(C2CNC2)n1
InChIInChI=1S/C12H19N3/c1-8-5-10(12(2,3)4)15-11(14-8)9-6-13-7-9/h5,9,13H,6-7H2,1-4H3
InChIKeyYCMLRMYRRHEFEI-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.77
Rot. Bonds1

About 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine

2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine (PubChem CID 116893271) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
PubChem CID116893271
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
SMILESCc1cc(C(C)(C)C)nc(C2CNC2)n1
InChIInChI=1S/C12H19N3/c1-8-5-10(12(2,3)4)15-11(14-8)9-6-13-7-9/h5,9,13H,6-7H2,1-4H3
InChIKeyYCMLRMYRRHEFEI-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine (CID 116893271) is 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine is Cc1cc(C(C)(C)C)nc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine?
The InChIKey is YCMLRMYRRHEFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-5-10(12(2,3)4)15-11(14-8)9-6-13-7-9/h5,9,13H,6-7H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine?
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine has a molecular weight of 205.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine is sourced from PubChem (CID 116893271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).