5H-pyrano[2,3-d]pyrimidine

C7H6N2O — CID 53439102

IUPAC5H-pyrano[2,3-d]pyrimidine
SMILESC1=COc2ncncc2C1
InChIInChI=1S/C7H6N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1,3-5H,2H2
InChIKeyOOPJHKGAYPDAPY-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.93
Rot. Bonds

About 5H-pyrano[2,3-d]pyrimidine

5H-pyrano[2,3-d]pyrimidine (PubChem CID 53439102) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name5H-pyrano[2,3-d]pyrimidine
PubChem CID53439102
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5H-pyrano[2,3-d]pyrimidine
SMILESC1=COc2ncncc2C1
InChIInChI=1S/C7H6N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1,3-5H,2H2
InChIKeyOOPJHKGAYPDAPY-UHFFFAOYSA-N
XLogP0.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 5H-pyrano[2,3-d]pyrimidine (CID 53439102) is 5H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 5H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 5H-pyrano[2,3-d]pyrimidine is C1=COc2ncncc2C1.
What is the InChIKey of 5H-pyrano[2,3-d]pyrimidine?
The InChIKey is OOPJHKGAYPDAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1,3-5H,2H2.
What are the key properties of 5H-pyrano[2,3-d]pyrimidine?
5H-pyrano[2,3-d]pyrimidine has a molecular weight of 134.14 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 53439102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).