4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile

C10H6ClN3O — CID 134822115

IUPAC4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(-c2ccco2)nc(Cl)c1C#N
InChIInChI=1S/C10H6ClN3O/c1-6-7(5-12)9(11)14-10(13-6)8-3-2-4-15-8/h2-4H,1H3
InChIKeyXYLMGANWLCHEDM-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.57
Rot. Bonds1

About 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile

4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile (PubChem CID 134822115) has the molecular formula C10H6ClN3O and a molecular weight of 219.63 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile
PubChem CID134822115
Molecular FormulaC10H6ClN3O
Molecular Weight219.63 g/mol
Exact Mass219.02
IUPAC Name4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile
SMILESCc1nc(-c2ccco2)nc(Cl)c1C#N
InChIInChI=1S/C10H6ClN3O/c1-6-7(5-12)9(11)14-10(13-6)8-3-2-4-15-8/h2-4H,1H3
InChIKeyXYLMGANWLCHEDM-UHFFFAOYSA-N
XLogP2.57
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile (CID 134822115) is 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile is Cc1nc(-c2ccco2)nc(Cl)c1C#N.
What is the InChIKey of 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile?
The InChIKey is XYLMGANWLCHEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3O/c1-6-7(5-12)9(11)14-10(13-6)8-3-2-4-15-8/h2-4H,1H3.
What are the key properties of 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile?
4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile has a molecular weight of 219.63 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-yl)-6-methylpyrimidine-5-carbonitrile is sourced from PubChem (CID 134822115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).