2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine

C14H12Cl2N2O — CID 58075262

IUPAC2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine
SMILESCC1(c2ccccc2)COCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H12Cl2N2O/c1-14(9-5-3-2-4-6-9)8-19-7-10-11(14)17-13(16)18-12(10)15/h2-6H,7-8H2,1H3
InChIKeyYHATTXAWXYXCDI-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.62
Rot. Bonds1

About 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine

2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine (PubChem CID 58075262) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine
PubChem CID58075262
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine
SMILESCC1(c2ccccc2)COCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C14H12Cl2N2O/c1-14(9-5-3-2-4-6-9)8-19-7-10-11(14)17-13(16)18-12(10)15/h2-6H,7-8H2,1H3
InChIKeyYHATTXAWXYXCDI-UHFFFAOYSA-N
XLogP3.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.62
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-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine (CID 58075262) is 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine is CC1(c2ccccc2)COCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine?
The InChIKey is YHATTXAWXYXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-14(9-5-3-2-4-6-9)8-19-7-10-11(14)17-13(16)18-12(10)15/h2-6H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine?
2,4-dichloro-8-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine has a molecular weight of 295.17 g/mol, XLogP of 3.62, 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-methyl-8-phenyl-5,7-dihydropyrano[4,3-d]pyrimidine is sourced from PubChem (CID 58075262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).