1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

C16H14N4O2 — CID 126853399

IUPAC1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(Nc2ccncn2)C1
InChIInChI=1S/C16H14N4O2/c21-16(14-7-11-3-1-2-4-13(11)22-14)20-8-12(9-20)19-15-5-6-17-10-18-15/h1-7,10,12H,8-9H2,(H,17,18,19)
InChIKeyKVCZGTOSVIHQOY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.16
Rot. Bonds3

About 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone

1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (PubChem CID 126853399) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
PubChem CID126853399
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CC(Nc2ccncn2)C1
InChIInChI=1S/C16H14N4O2/c21-16(14-7-11-3-1-2-4-13(11)22-14)20-8-12(9-20)19-15-5-6-17-10-18-15/h1-7,10,12H,8-9H2,(H,17,18,19)
InChIKeyKVCZGTOSVIHQOY-UHFFFAOYSA-N
XLogP2.16
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone (CID 126853399) is 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CC(Nc2ccncn2)C1.
What is the InChIKey of 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
The InChIKey is KVCZGTOSVIHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(14-7-11-3-1-2-4-13(11)22-14)20-8-12(9-20)19-15-5-6-17-10-18-15/h1-7,10,12H,8-9H2,(H,17,18,19).
What are the key properties of 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone?
1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone has a molecular weight of 294.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[3-(pyrimidin-4-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 126853399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).