2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine

C12H8Cl2N2O — CID 58075475

IUPAC2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)OC2
InChIInChI=1S/C12H8Cl2N2O/c13-11-8-6-17-10(7-4-2-1-3-5-7)9(8)15-12(14)16-11/h1-5,10H,6H2
InChIKeyXELCSJPINAPRJL-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.40
Rot. Bonds1

About 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine

2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine (PubChem CID 58075475) has the molecular formula C12H8Cl2N2O and a molecular weight of 267.12 g/mol. Its IUPAC name is 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine
PubChem CID58075475
Molecular FormulaC12H8Cl2N2O
Molecular Weight267.12 g/mol
Exact Mass266.00
IUPAC Name2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine
SMILESClc1nc(Cl)c2c(n1)C(c1ccccc1)OC2
InChIInChI=1S/C12H8Cl2N2O/c13-11-8-6-17-10(7-4-2-1-3-5-7)9(8)15-12(14)16-11/h1-5,10H,6H2
InChIKeyXELCSJPINAPRJL-UHFFFAOYSA-N
XLogP3.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine (CID 58075475) is 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine is Clc1nc(Cl)c2c(n1)C(c1ccccc1)OC2.
What is the InChIKey of 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine?
The InChIKey is XELCSJPINAPRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O/c13-11-8-6-17-10(7-4-2-1-3-5-7)9(8)15-12(14)16-11/h1-5,10H,6H2.
What are the key properties of 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine?
2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine has a molecular weight of 267.12 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-phenyl-5,7-dihydrofuro[3,4-d]pyrimidine is sourced from PubChem (CID 58075475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).