2,7-dihydro-1H-pyrano[2,3-d]pyrimidine

C7H8N2O — CID 140970702

IUPAC2,7-dihydro-1H-pyrano[2,3-d]pyrimidine
SMILESC1=CC2=C(NCN=C2)OC1
InChIInChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1-2,4,9H,3,5H2
InChIKeyDDQKTRPTJZSCHB-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.42
Rot. Bonds

About 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine

2,7-dihydro-1H-pyrano[2,3-d]pyrimidine (PubChem CID 140970702) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dihydro-1H-pyrano[2,3-d]pyrimidine
PubChem CID140970702
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name2,7-dihydro-1H-pyrano[2,3-d]pyrimidine
SMILESC1=CC2=C(NCN=C2)OC1
InChIInChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1-2,4,9H,3,5H2
InChIKeyDDQKTRPTJZSCHB-UHFFFAOYSA-N
XLogP0.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine?
The IUPAC name of 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine (CID 140970702) is 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine.
What is the SMILES notation for 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine?
The canonical SMILES for 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine is C1=CC2=C(NCN=C2)OC1.
What is the InChIKey of 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine?
The InChIKey is DDQKTRPTJZSCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-4-8-5-9-7(6)10-3-1/h1-2,4,9H,3,5H2.
What are the key properties of 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine?
2,7-dihydro-1H-pyrano[2,3-d]pyrimidine has a molecular weight of 136.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-1H-pyrano[2,3-d]pyrimidine is sourced from PubChem (CID 140970702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).