(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone

C9H4Cl2N2O2 — CID 58526528

IUPAC(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C9H4Cl2N2O2/c10-8-6(9(11)13-4-12-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyNTRPNICSJZRTBO-UHFFFAOYSA-N
MW243.05 g/mol
LogP2.61
Rot. Bonds2

About (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone

(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone (PubChem CID 58526528) has the molecular formula C9H4Cl2N2O2 and a molecular weight of 243.05 g/mol. Its IUPAC name is (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone
PubChem CID58526528
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.05 g/mol
Exact Mass241.96
IUPAC Name(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1c(Cl)ncnc1Cl
InChIInChI=1S/C9H4Cl2N2O2/c10-8-6(9(11)13-4-12-8)7(14)5-2-1-3-15-5/h1-4H
InChIKeyNTRPNICSJZRTBO-UHFFFAOYSA-N
XLogP2.61
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone?
The IUPAC name of (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone (CID 58526528) is (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone?
The canonical SMILES for (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone is O=C(c1ccco1)c1c(Cl)ncnc1Cl.
What is the InChIKey of (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone?
The InChIKey is NTRPNICSJZRTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2/c10-8-6(9(11)13-4-12-8)7(14)5-2-1-3-15-5/h1-4H.
What are the key properties of (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone?
(4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone has a molecular weight of 243.05 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dichloropyrimidin-5-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 58526528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).