(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone

C10H8N2O2 — CID 104789316

IUPAC(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
SMILESCc1occc1C(=O)c1cncnc1
InChIInChI=1S/C10H8N2O2/c1-7-9(2-3-14-7)10(13)8-4-11-6-12-5-8/h2-6H,1H3
InChIKeyPQMQKHFUNVMLTG-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.61
Rot. Bonds2

About (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone

(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone (PubChem CID 104789316) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
PubChem CID104789316
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
SMILESCc1occc1C(=O)c1cncnc1
InChIInChI=1S/C10H8N2O2/c1-7-9(2-3-14-7)10(13)8-4-11-6-12-5-8/h2-6H,1H3
InChIKeyPQMQKHFUNVMLTG-UHFFFAOYSA-N
XLogP1.61
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone (CID 104789316) is (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone is Cc1occc1C(=O)c1cncnc1.
What is the InChIKey of (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone?
The InChIKey is PQMQKHFUNVMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-7-9(2-3-14-7)10(13)8-4-11-6-12-5-8/h2-6H,1H3.
What are the key properties of (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone?
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone has a molecular weight of 188.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 104789316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).