2-tert-butyl-5-(furan-3-yl)pyrimidine

C12H14N2O — CID 171604058

IUPAC2-tert-butyl-5-(furan-3-yl)pyrimidine
SMILESCC(C)(C)c1ncc(-c2ccoc2)cn1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11-13-6-10(7-14-11)9-4-5-15-8-9/h4-8H,1-3H3
InChIKeyPSPPLVCIODBWAU-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.03
Rot. Bonds1

About 2-tert-butyl-5-(furan-3-yl)pyrimidine

2-tert-butyl-5-(furan-3-yl)pyrimidine (PubChem CID 171604058) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-(furan-3-yl)pyrimidine
PubChem CID171604058
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-tert-butyl-5-(furan-3-yl)pyrimidine
SMILESCC(C)(C)c1ncc(-c2ccoc2)cn1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11-13-6-10(7-14-11)9-4-5-15-8-9/h4-8H,1-3H3
InChIKeyPSPPLVCIODBWAU-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(furan-3-yl)pyrimidine?
The IUPAC name of 2-tert-butyl-5-(furan-3-yl)pyrimidine (CID 171604058) is 2-tert-butyl-5-(furan-3-yl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-(furan-3-yl)pyrimidine?
The canonical SMILES for 2-tert-butyl-5-(furan-3-yl)pyrimidine is CC(C)(C)c1ncc(-c2ccoc2)cn1.
What is the InChIKey of 2-tert-butyl-5-(furan-3-yl)pyrimidine?
The InChIKey is PSPPLVCIODBWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)11-13-6-10(7-14-11)9-4-5-15-8-9/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-(furan-3-yl)pyrimidine?
2-tert-butyl-5-(furan-3-yl)pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(furan-3-yl)pyrimidine is sourced from PubChem (CID 171604058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).