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

C14H14N2O4 — CID 42586388

IUPAC(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C14H14N2O4/c1-16-10-7-20-13(17)11(10)12(15-14(16)18)8-3-5-9(19-2)6-4-8/h3-6,12H,7H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyHIYDPRWJROOFTQ-LBPRGKRZSA-N
MW274.28 g/mol
LogP1.20
Rot. Bonds2

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

(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42586388) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID42586388
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C14H14N2O4/c1-16-10-7-20-13(17)11(10)12(15-14(16)18)8-3-5-9(19-2)6-4-8/h3-6,12H,7H2,1-2H3,(H,15,18)/t12-/m0/s1
InChIKeyHIYDPRWJROOFTQ-LBPRGKRZSA-N
XLogP1.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887145
4-(1,3-benzodioxol-5-yl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 56688422
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
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
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-(4-methoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 91887153
6-butyl-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 42796656
(4R)-1-butyl-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745340
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
6-[2-(4-methoxyphenyl)ethyl]-1-methyl-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 43995228
N-(4-methoxyphenyl)-2-[(4S)-4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 95394611
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylsulfanylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 53365706
(4S)-4-(4-ethoxyphenyl)-1-(3-methylbutyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
CID 99745348

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 42586388) is (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is HIYDPRWJROOFTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-16-10-7-20-13(17)11(10)12(15-14(16)18)8-3-5-9(19-2)6-4-8/h3-6,12H,7H2,1-2H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
(4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 274.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-1-methyl-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42586388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).