2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C11H10BrN3O2 — CID 106889312

IUPAC2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2occc2Br)nc2c1COCC2
InChIInChI=1S/C11H10BrN3O2/c12-7-1-4-17-9(7)11-14-8-2-3-16-5-6(8)10(13)15-11/h1,4H,2-3,5H2,(H2,13,14,15)
InChIKeyMCLOVAWOWKZQIW-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.15
Rot. Bonds1

About 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106889312) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106889312
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2occc2Br)nc2c1COCC2
InChIInChI=1S/C11H10BrN3O2/c12-7-1-4-17-9(7)11-14-8-2-3-16-5-6(8)10(13)15-11/h1,4H,2-3,5H2,(H2,13,14,15)
InChIKeyMCLOVAWOWKZQIW-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106889312) is 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Nc1nc(-c2occc2Br)nc2c1COCC2.
What is the InChIKey of 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is MCLOVAWOWKZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-7-1-4-17-9(7)11-14-8-2-3-16-5-6(8)10(13)15-11/h1,4H,2-3,5H2,(H2,13,14,15).
What are the key properties of 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 296.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106889312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).