1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one

C17H14N2O2 — CID 46935908

IUPAC1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN1C(=O)NC(c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C17H14N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,20)
InChIKeyRZGXLAYHCMZAQA-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.68
Rot. Bonds1

About 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one

1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 46935908) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID46935908
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCN1C(=O)NC(c2ccccc2)c2oc3ccccc3c21
InChIInChI=1S/C17H14N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,20)
InChIKeyRZGXLAYHCMZAQA-UHFFFAOYSA-N
XLogP3.68
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxamide
CID 12924230
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
(6R)-3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 746944
3,4-dimethyl-5-nitro-6-phenyl-1,6-dihydropyrimidin-2-one
CID 2831696
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
tert-butyl 3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 2729461
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
(4R)-1-methyl-4,6-diphenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 755556
(1S)-2-methyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7379009
2-pentyl-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113827
1,3-dimethylspiro[1,3-diazinane-5,8'-8a,9,10,11-tetrahydro-7H-chromeno[4,3-e]indolizine]-2,4,6,6'-tetrone
CID 102218625
2-methyl-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridine-1-carboxylic acid
CID 84694454

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 46935908) is 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one is CN1C(=O)NC(c2ccccc2)c2oc3ccccc3c21.
What is the InChIKey of 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is RZGXLAYHCMZAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-19-15-12-9-5-6-10-13(12)21-16(15)14(18-17(19)20)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,20).
What are the key properties of 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one?
1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3,4-dihydro-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 46935908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).