2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

C20H18N2O2 — CID 162650188

IUPAC2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccccc3)=NC1O2
InChIInChI=1S/C20H18N2O2/c1-12(2)14-8-9-17-15(10-14)11-16-19(23)21-18(22-20(16)24-17)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,22,23)
InChIKeyXLEZWGMMQRQOQA-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.49
Rot. Bonds2

About 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one

2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (PubChem CID 162650188) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
PubChem CID162650188
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccccc3)=NC1O2
InChIInChI=1S/C20H18N2O2/c1-12(2)14-8-9-17-15(10-14)11-16-19(23)21-18(22-20(16)24-17)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,22,23)
InChIKeyXLEZWGMMQRQOQA-UHFFFAOYSA-N
XLogP3.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one (CID 162650188) is 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is CC(C)c1ccc2c(c1)C=C1C(=O)NC(c3ccccc3)=NC1O2.
What is the InChIKey of 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
The InChIKey is XLEZWGMMQRQOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12(2)14-8-9-17-15(10-14)11-16-19(23)21-18(22-20(16)24-17)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,22,23).
What are the key properties of 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one?
2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one has a molecular weight of 318.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-propan-2-yl-3,10a-dihydrochromeno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 162650188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).