1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione

C20H18N2O3 — CID 11450454

IUPAC1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H18N2O3/c1-21-17(23)16-13-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)25-18(16)22(2)19(21)24/h3-12H,13H2,1-2H3
InChIKeyVBGRLESQQSKAJC-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.96
Rot. Bonds2

About 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione (PubChem CID 11450454) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
PubChem CID11450454
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H18N2O3/c1-21-17(23)16-13-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)25-18(16)22(2)19(21)24/h3-12H,13H2,1-2H3
InChIKeyVBGRLESQQSKAJC-UHFFFAOYSA-N
XLogP1.96
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-6-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-diol
CID 500245
5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
CID 91042131
Benzyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,3,4,5-tetrahydro-2h-pyrano[2,3-d]pyrimidine-5-carboxamide
CID 129707229
Cyclohexyl-1,3-dimethyl-2,4-dioxo-7-phenyl-1,3,4,5-tetrahydro-2h-pyrano[2,3-d]pyrimidine-5-carboxamide
CID 129707287
(5S,6S)-5-methyl-6-phenyl-5,6-dihydro-1H-furo[2,3-d]pyrimidine-2,4-dione
CID 384929
(5R,6S)-5-methyl-6-phenyl-5,6-dihydro-1H-furo[2,3-d]pyrimidine-2,4-dione
CID 384930
1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
CID 10802126
(4bS,8aS)-1,3-diethyl-8a-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-4bH-[1]benzofuro[2,3-d]pyrimidin-4-one
CID 11302755
(4bS,8aS)-1,3-dimethyl-8a-phenyl-5,6,7,8-tetrahydro-4bH-[1]benzofuro[2,3-d]pyrimidine-2,4-dione
CID 21591766
(4bS,8aS)-8a-(4-chlorophenyl)-1,3-dimethyl-5,6,7,8-tetrahydro-4bH-[1]benzofuro[2,3-d]pyrimidine-2,4-dione
CID 21591767
(4bS,8aS)-1,3-dimethyl-8a-(4-methylphenyl)-5,6,7,8-tetrahydro-4bH-[1]benzofuro[2,3-d]pyrimidine-2,4-dione
CID 21591768
1,3-dimethyl-6,6-bis(4-methylphenyl)-5H-furo[2,3-d]pyrimidine-2,4-dione
CID 21591771

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione (CID 11450454) is 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VBGRLESQQSKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-21-17(23)16-13-20(14-9-5-3-6-10-14,15-11-7-4-8-12-15)25-18(16)22(2)19(21)24/h3-12H,13H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11450454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).