2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine

C13H10ClFN2O — CID 58916290

IUPAC2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C13H10ClFN2O/c1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15/h2-4H,5-6H2,1H3
InChIKeyLUMRWIIASYMVLY-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.27
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine

2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 58916290) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID58916290
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESCc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
InChIInChI=1S/C13H10ClFN2O/c1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15/h2-4H,5-6H2,1H3
InChIKeyLUMRWIIASYMVLY-UHFFFAOYSA-N
XLogP3.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine (CID 58916290) is 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine is Cc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is LUMRWIIASYMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c1-7-10-5-18-6-12(10)17-13(16-7)9-4-8(14)2-3-11(9)15/h2-4H,5-6H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine?
2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 264.69 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-methyl-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 58916290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).