5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one

C19H12Cl2N2O2 — CID 11975007

IUPAC5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1C(c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)O2
InChIInChI=1S/C19H12Cl2N2O2/c20-13-5-1-11(2-6-13)15-9-16(12-3-7-14(21)8-4-12)25-19-17(15)18(24)22-10-23-19/h1-10,15H,(H,22,23,24)
InChIKeyHSUTWJUFRZDGAA-UHFFFAOYSA-N
MW371.22 g/mol
LogP4.64
Rot. Bonds2

About 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one

5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one (PubChem CID 11975007) has the molecular formula C19H12Cl2N2O2 and a molecular weight of 371.22 g/mol. Its IUPAC name is 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
PubChem CID11975007
Molecular FormulaC19H12Cl2N2O2
Molecular Weight371.22 g/mol
Exact Mass370.03
IUPAC Name5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1C(c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)O2
InChIInChI=1S/C19H12Cl2N2O2/c20-13-5-1-11(2-6-13)15-9-16(12-3-7-14(21)8-4-12)25-19-17(15)18(24)22-10-23-19/h1-10,15H,(H,22,23,24)
InChIKeyHSUTWJUFRZDGAA-UHFFFAOYSA-N
XLogP4.64
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-amino-4-oxo-5-(4-phenylphenyl)-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 1203559
(5S)-7-amino-5-(3,4-dichlorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 41062626
5-(4-chlorophenyl)-7-(2-oxochromen-3-yl)-2-phenyl-3,5-dihydropyrano[2,3-d]pyrimidin-4-one
CID 171350035
(5S)-7-amino-5-(3-bromo-4-fluorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 7305624
(4R)-4-(4-chlorophenyl)-2-phenyl-4H-chromene
CID 71763257
(5R)-7-amino-5-(2-chloro-6-fluorophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 95861285
(5S)-7-amino-4-oxo-5-pyridin-4-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 729848
18-(4-bromophenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-one
CID 3884035
6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 135572398
5-(4-chlorophenyl)-6-phenyl-3H-furo[2,3-d]pyrimidin-4-one
CID 143503776
7-amino-5-(4-ethoxyphenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 3154975
(5R)-7-amino-5-(1,3-benzodioxol-5-yl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
CID 41062553

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one (CID 11975007) is 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1C(c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)O2.
What is the InChIKey of 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
The InChIKey is HSUTWJUFRZDGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2/c20-13-5-1-11(2-6-13)15-9-16(12-3-7-14(21)8-4-12)25-19-17(15)18(24)22-10-23-19/h1-10,15H,(H,22,23,24).
What are the key properties of 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one?
5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one has a molecular weight of 371.22 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-chlorophenyl)-3,5-dihydropyrano[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 11975007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).