1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine

C10H8N2O — CID 54182020

IUPAC1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine
SMILESC1=NCNc2oc3ccccc3c21
InChIInChI=1S/C10H8N2O/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-5,12H,6H2
InChIKeyGLYFGOMPJYNDQE-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.23
Rot. Bonds

About 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine

1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 54182020) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine
PubChem CID54182020
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine
SMILESC1=NCNc2oc3ccccc3c21
InChIInChI=1S/C10H8N2O/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-5,12H,6H2
InChIKeyGLYFGOMPJYNDQE-UHFFFAOYSA-N
XLogP2.23
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14030965
1,2-dihydrochromeno[4,3-b]pyridin-5-one
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dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
dibenzofuran;molecular hydrogen
CID 173065186
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
chromeno[3,4-b]pyrazin-5-one
CID 691239
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
1-benzofuran-2,3-diol
CID 22994886
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-4-hydroxychromen-2-one
CID 177410002
13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
CID 899296
[1]benzofuro[2,3-b]pyrazine
CID 55297119

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine (CID 54182020) is 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine is C1=NCNc2oc3ccccc3c21.
What is the InChIKey of 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is GLYFGOMPJYNDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-5,12H,6H2.
What are the key properties of 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine?
1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 172.19 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 54182020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).