(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C19H24N2O4 — CID 99745348

IUPAC(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc([C@@H]2NC(=O)N(CCC(C)C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C19H24N2O4/c1-4-24-14-7-5-13(6-8-14)17-16-15(11-25-18(16)22)21(19(23)20-17)10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyDGKUNXZYRSJBSV-KRWDZBQOSA-N
MW344.41 g/mol
LogP3.01
Rot. Bonds6

About (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 99745348) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID99745348
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc([C@@H]2NC(=O)N(CCC(C)C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C19H24N2O4/c1-4-24-14-7-5-13(6-8-14)17-16-15(11-25-18(16)22)21(19(23)20-17)10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1
InChIKeyDGKUNXZYRSJBSV-KRWDZBQOSA-N
XLogP3.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

(4R)-1-butyl-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745340
2-[(4R)-4-(4-ethoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128970
4-(4-ethoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887180
1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
N,N-diethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125128634
(4R)-4-(4-ethoxyphenyl)-6-(3-methylbutyl)-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 40854163
2-[(4S)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-propan-2-ylacetamide
CID 99745334
(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 42586388
N-butyl-N-ethyl-2-[(4R)-4-(4-methoxyphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 125126489
2-(4-ethoxyphenyl)-3-(3-methylbutyl)imidazolidin-4-one
CID 83236919
2-[(4R)-2,5-dioxo-4-phenyl-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N,N-dipropylacetamide
CID 125128562
4-(4-ethoxyphenyl)-1-(4-fluorophenyl)-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 4920498

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 99745348) is (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CCOc1ccc([C@@H]2NC(=O)N(CCC(C)C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DGKUNXZYRSJBSV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-24-14-7-5-13(6-8-14)17-16-15(11-25-18(16)22)21(19(23)20-17)10-9-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,20,23)/t17-/m0/s1.
What are the key properties of (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 99745348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).