4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine

C13H12N2O — CID 156867518

IUPAC4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC(C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(2)11-13-12(15-7-14-11)9-5-3-4-6-10(9)16-13/h3-8H,1-2H3
InChIKeyRQQYVWGYWDTYHI-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.50
Rot. Bonds1

About 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine

4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 156867518) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID156867518
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESCC(C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C13H12N2O/c1-8(2)11-13-12(15-7-14-11)9-5-3-4-6-10(9)16-13/h3-8H,1-2H3
InChIKeyRQQYVWGYWDTYHI-UHFFFAOYSA-N
XLogP3.50
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine (CID 156867518) is 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine is CC(C)c1ncnc2c1oc1ccccc12.
What is the InChIKey of 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is RQQYVWGYWDTYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8(2)11-13-12(15-7-14-11)9-5-3-4-6-10(9)16-13/h3-8H,1-2H3.
What are the key properties of 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine?
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 212.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 156867518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).