7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

C18H14N2O2 — CID 53338131

IUPAC7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(c1)Cc1c(nc(-c3ccccc3)[nH]c1=O)O2
InChIInChI=1S/C18H14N2O2/c1-11-7-8-15-13(9-11)10-14-17(21)19-16(20-18(14)22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyPECVUCHCLGIUQV-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.44
Rot. Bonds1

About 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one

7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 53338131) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID53338131
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCc1ccc2c(c1)Cc1c(nc(-c3ccccc3)[nH]c1=O)O2
InChIInChI=1S/C18H14N2O2/c1-11-7-8-15-13(9-11)10-14-17(21)19-16(20-18(14)22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21)
InChIKeyPECVUCHCLGIUQV-UHFFFAOYSA-N
XLogP3.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 53338131) is 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3)[nH]c1=O)O2.
What is the InChIKey of 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is PECVUCHCLGIUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-11-7-8-15-13(9-11)10-14-17(21)19-16(20-18(14)22-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,20,21).
What are the key properties of 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one?
7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 290.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53338131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).