2,3-dihydro-1H-pyrano[3,2-d]pyrimidine

C7H8N2O — CID 68622143

IUPAC2,3-dihydro-1H-pyrano[3,2-d]pyrimidine
SMILESC1=COC2=CNCNC2=C1
InChIInChI=1S/C7H8N2O/c1-2-6-7(10-3-1)4-8-5-9-6/h1-4,8-9H,5H2
InChIKeyGPLHOBGGFNJIGJ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.41
Rot. Bonds

About 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine

2,3-dihydro-1H-pyrano[3,2-d]pyrimidine (PubChem CID 68622143) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrano[3,2-d]pyrimidine
PubChem CID68622143
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,3-dihydro-1H-pyrano[3,2-d]pyrimidine
SMILESC1=COC2=CNCNC2=C1
InChIInChI=1S/C7H8N2O/c1-2-6-7(10-3-1)4-8-5-9-6/h1-4,8-9H,5H2
InChIKeyGPLHOBGGFNJIGJ-UHFFFAOYSA-N
XLogP0.41
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine?
The IUPAC name of 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine (CID 68622143) is 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine.
What is the SMILES notation for 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine?
The canonical SMILES for 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine is C1=COC2=CNCNC2=C1.
What is the InChIKey of 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine?
The InChIKey is GPLHOBGGFNJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-7(10-3-1)4-8-5-9-6/h1-4,8-9H,5H2.
What are the key properties of 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine?
2,3-dihydro-1H-pyrano[3,2-d]pyrimidine has a molecular weight of 136.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrano[3,2-d]pyrimidine is sourced from PubChem (CID 68622143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).