2-(3-methylfuran-2-yl)pyrimidine

C9H8N2O — CID 174942137

IUPAC2-(3-methylfuran-2-yl)pyrimidine
SMILESCc1ccoc1-c1ncccn1
InChIInChI=1S/C9H8N2O/c1-7-3-6-12-8(7)9-10-4-2-5-11-9/h2-6H,1H3
InChIKeyYIKVVJVSGWAJCN-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 2-(3-methylfuran-2-yl)pyrimidine

2-(3-methylfuran-2-yl)pyrimidine (PubChem CID 174942137) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)pyrimidine
PubChem CID174942137
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-(3-methylfuran-2-yl)pyrimidine
SMILESCc1ccoc1-c1ncccn1
InChIInChI=1S/C9H8N2O/c1-7-3-6-12-8(7)9-10-4-2-5-11-9/h2-6H,1H3
InChIKeyYIKVVJVSGWAJCN-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)pyrimidine?
The IUPAC name of 2-(3-methylfuran-2-yl)pyrimidine (CID 174942137) is 2-(3-methylfuran-2-yl)pyrimidine.
What is the SMILES notation for 2-(3-methylfuran-2-yl)pyrimidine?
The canonical SMILES for 2-(3-methylfuran-2-yl)pyrimidine is Cc1ccoc1-c1ncccn1.
What is the InChIKey of 2-(3-methylfuran-2-yl)pyrimidine?
The InChIKey is YIKVVJVSGWAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-3-6-12-8(7)9-10-4-2-5-11-9/h2-6H,1H3.
What are the key properties of 2-(3-methylfuran-2-yl)pyrimidine?
2-(3-methylfuran-2-yl)pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)pyrimidine is sourced from PubChem (CID 174942137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).