4-(2H-pyran-3-yl)pyrimidine

C9H8N2O — CID 173167710

IUPAC4-(2H-pyran-3-yl)pyrimidine
SMILESC1=COCC(c2ccncn2)=C1
InChIInChI=1S/C9H8N2O/c1-2-8(6-12-5-1)9-3-4-10-7-11-9/h1-5,7H,6H2
InChIKeyIPFOUZURYWNSMI-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.40
Rot. Bonds1

About 4-(2H-pyran-3-yl)pyrimidine

4-(2H-pyran-3-yl)pyrimidine (PubChem CID 173167710) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(2H-pyran-3-yl)pyrimidine.

Molecular Properties

Compound Name4-(2H-pyran-3-yl)pyrimidine
PubChem CID173167710
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-(2H-pyran-3-yl)pyrimidine
SMILESC1=COCC(c2ccncn2)=C1
InChIInChI=1S/C9H8N2O/c1-2-8(6-12-5-1)9-3-4-10-7-11-9/h1-5,7H,6H2
InChIKeyIPFOUZURYWNSMI-UHFFFAOYSA-N
XLogP1.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyran-3-yl)pyrimidine?
The IUPAC name of 4-(2H-pyran-3-yl)pyrimidine (CID 173167710) is 4-(2H-pyran-3-yl)pyrimidine.
What is the SMILES notation for 4-(2H-pyran-3-yl)pyrimidine?
The canonical SMILES for 4-(2H-pyran-3-yl)pyrimidine is C1=COCC(c2ccncn2)=C1.
What is the InChIKey of 4-(2H-pyran-3-yl)pyrimidine?
The InChIKey is IPFOUZURYWNSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-2-8(6-12-5-1)9-3-4-10-7-11-9/h1-5,7H,6H2.
What are the key properties of 4-(2H-pyran-3-yl)pyrimidine?
4-(2H-pyran-3-yl)pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyran-3-yl)pyrimidine is sourced from PubChem (CID 173167710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).