(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C23H24N2O3 — CID 125128449

IUPAC(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](c3ccccc3)C3=C2COC3=O)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)17-11-9-15(10-12-17)13-25-18-14-28-21(26)19(18)20(24-22(25)27)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyUYKMANUBFYJDFH-FQEVSTJZSA-N
MW376.46 g/mol
LogP4.06
Rot. Bonds3

About (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 125128449) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID125128449
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCC(C)(C)c1ccc(CN2C(=O)N[C@@H](c3ccccc3)C3=C2COC3=O)cc1
InChIInChI=1S/C23H24N2O3/c1-23(2,3)17-11-9-15(10-12-17)13-25-18-14-28-21(26)19(18)20(24-22(25)27)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27)/t20-/m0/s1
InChIKeyUYKMANUBFYJDFH-FQEVSTJZSA-N
XLogP4.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4R)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 125128562
1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-methyl-N-phenylacetamide
CID 91894858
N-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethylacetamide
CID 99739190
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 91894862
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-phenylacetamide
CID 99743571
(5S)-3-[(4-tert-butylphenyl)methyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7917027
2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 99743627
3-[(4-bromophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573205
N-[2-(4-chlorophenyl)ethyl]-2-[(4S)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743672
2-[4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 91894966
(4R)-1-butyl-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745340

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 125128449) is (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CC(C)(C)c1ccc(CN2C(=O)N[C@@H](c3ccccc3)C3=C2COC3=O)cc1.
What is the InChIKey of (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is UYKMANUBFYJDFH-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2,3)17-11-9-15(10-12-17)13-25-18-14-28-21(26)19(18)20(24-22(25)27)16-7-5-4-6-8-16/h4-12,20H,13-14H2,1-3H3,(H,24,27)/t20-/m0/s1.
What are the key properties of (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
(4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 376.46 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 125128449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).