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

C14H9Cl2F3N2O — CID 58075462

IUPAC2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C14H9Cl2F3N2O/c15-12-10-6-22-5-9(11(10)20-13(16)21-12)7-1-3-8(4-2-7)14(17,18)19/h1-4,9H,5-6H2
InChIKeyKPFDQJVXQVQRCJ-UHFFFAOYSA-N
MW349.14 g/mol
LogP4.46
Rot. Bonds1

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

2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 58075462) has the molecular formula C14H9Cl2F3N2O and a molecular weight of 349.14 g/mol. Its IUPAC name is 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID58075462
Molecular FormulaC14H9Cl2F3N2O
Molecular Weight349.14 g/mol
Exact Mass348.00
IUPAC Name2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1
InChIInChI=1S/C14H9Cl2F3N2O/c15-12-10-6-22-5-9(11(10)20-13(16)21-12)7-1-3-8(4-2-7)14(17,18)19/h1-4,9H,5-6H2
InChIKeyKPFDQJVXQVQRCJ-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 54.46
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-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 58075462) is 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is FC(F)(F)c1ccc(C2COCc3c(Cl)nc(Cl)nc32)cc1.
What is the InChIKey of 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is KPFDQJVXQVQRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O/c15-12-10-6-22-5-9(11(10)20-13(16)21-12)7-1-3-8(4-2-7)14(17,18)19/h1-4,9H,5-6H2.
What are the key properties of 2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2,4-dichloro-8-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 349.14 g/mol, XLogP of 4.46, 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-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 58075462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).