2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C13H8Cl2F2N2O — CID 58075759

IUPAC2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFc1cc(F)cc(C2COCc3c(Cl)nc(Cl)nc32)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-12-10-5-20-4-9(11(10)18-13(15)19-12)6-1-7(16)3-8(17)2-6/h1-3,9H,4-5H2
InChIKeyTXRPAVVPQXYVFP-UHFFFAOYSA-N
MW317.12 g/mol
LogP3.72
Rot. Bonds1

About 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 58075759) has the molecular formula C13H8Cl2F2N2O and a molecular weight of 317.12 g/mol. Its IUPAC name is 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID58075759
Molecular FormulaC13H8Cl2F2N2O
Molecular Weight317.12 g/mol
Exact Mass316.00
IUPAC Name2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFc1cc(F)cc(C2COCc3c(Cl)nc(Cl)nc32)c1
InChIInChI=1S/C13H8Cl2F2N2O/c14-12-10-5-20-4-9(11(10)18-13(15)19-12)6-1-7(16)3-8(17)2-6/h1-3,9H,4-5H2
InChIKeyTXRPAVVPQXYVFP-UHFFFAOYSA-N
XLogP3.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 58075759) is 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is Fc1cc(F)cc(C2COCc3c(Cl)nc(Cl)nc32)c1.
What is the InChIKey of 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is TXRPAVVPQXYVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O/c14-12-10-5-20-4-9(11(10)18-13(15)19-12)6-1-7(16)3-8(17)2-6/h1-3,9H,4-5H2.
What are the key properties of 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 317.12 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-(3,5-difluorophenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 58075759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).