2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one

C21H20N2O — CID 139234711

IUPAC2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one
SMILESCCC1(C)NC(=O)c2c3cccccc-3c(-c3ccccc3)c2N1
InChIInChI=1S/C21H20N2O/c1-3-21(2)22-19-17(14-10-6-4-7-11-14)15-12-8-5-9-13-16(15)18(19)20(24)23-21/h4-13,22H,3H2,1-2H3,(H,23,24)
InChIKeyRMRWFOKGUAORTJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.74
Rot. Bonds2

About 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one

2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one (PubChem CID 139234711) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one
PubChem CID139234711
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one
SMILESCCC1(C)NC(=O)c2c3cccccc-3c(-c3ccccc3)c2N1
InChIInChI=1S/C21H20N2O/c1-3-21(2)22-19-17(14-10-6-4-7-11-14)15-12-8-5-9-13-16(15)18(19)20(24)23-21/h4-13,22H,3H2,1-2H3,(H,23,24)
InChIKeyRMRWFOKGUAORTJ-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one?
The IUPAC name of 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one (CID 139234711) is 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one is CCC1(C)NC(=O)c2c3cccccc-3c(-c3ccccc3)c2N1.
What is the InChIKey of 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one?
The InChIKey is RMRWFOKGUAORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-21(2)22-19-17(14-10-6-4-7-11-14)15-12-8-5-9-13-16(15)18(19)20(24)23-21/h4-13,22H,3H2,1-2H3,(H,23,24).
What are the key properties of 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one?
2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-10-phenyl-1,3-dihydroazuleno[2,1-d]pyrimidin-4-one is sourced from PubChem (CID 139234711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).