1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione

C15H16N2O3 — CID 10802126

IUPAC1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C)(c1ccccc1)O2
InChIInChI=1S/C15H16N2O3/c1-15(10-7-5-4-6-8-10)9-11-12(18)16(2)14(19)17(3)13(11)20-15/h4-8H,9H2,1-3H3
InChIKeyCZLLWMCFHNSDRA-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.93
Rot. Bonds1

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

1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione (PubChem CID 10802126) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
PubChem CID10802126
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C)(c1ccccc1)O2
InChIInChI=1S/C15H16N2O3/c1-15(10-7-5-4-6-8-10)9-11-12(18)16(2)14(19)17(3)13(11)20-15/h4-8H,9H2,1-3H3
InChIKeyCZLLWMCFHNSDRA-UHFFFAOYSA-N
XLogP0.93
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-1,3-dimethyl-7-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 927788
1-(benzyloxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
CID 471868
5-Methyl-6-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-diol
CID 500245
6,6-difluoro-2,4-dimethyl-11H-[2]benzoxepino[3,4-d]pyrimidine-1,3-dione
CID 177590758
6,6,9-trifluoro-2,4-dimethyl-11H-[2]benzoxepino[3,4-d]pyrimidine-1,3-dione
CID 177610898
(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
(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
1,3-dimethyl-6,6-diphenyl-5H-furo[2,3-d]pyrimidine-2,4-dione
CID 11450454
(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

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione (CID 10802126) is 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CC(C)(c1ccccc1)O2.
What is the InChIKey of 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CZLLWMCFHNSDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(10-7-5-4-6-8-10)9-11-12(18)16(2)14(19)17(3)13(11)20-15/h4-8H,9H2,1-3H3.
What are the key properties of 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-6-phenyl-5H-furo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10802126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).