4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

C12H9ClN2O3 — CID 102567371

IUPAC4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2cccc(Cl)c2)N1
InChIInChI=1S/C12H9ClN2O3/c13-7-3-1-2-6(4-7)10-9-8(5-18-11(9)16)14-12(17)15-10/h1-4,10H,5H2,(H2,14,15,17)
InChIKeySVEDINNTCSLAIG-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.50
Rot. Bonds1

About 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione

4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 102567371) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID102567371
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)OC2)C(c2cccc(Cl)c2)N1
InChIInChI=1S/C12H9ClN2O3/c13-7-3-1-2-6(4-7)10-9-8(5-18-11(9)16)14-12(17)15-10/h1-4,10H,5H2,(H2,14,15,17)
InChIKeySVEDINNTCSLAIG-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(trifluoromethyl)phenyl]-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3411631
4-(4-hydroxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3230407
4-(3,4-dimethoxyphenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione
CID 3467312
ethyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 13121170
8-(3-chlorophenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 44593102
[4-(3-chlorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridin-3-yl] hydrogen carbonate
CID 70450376
prop-2-enyl 4-(3-chlorophenyl)-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
CID 13242063
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
(4R)-4-(4-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 122684505
4-(3-chlorophenyl)-7,7-dimethyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinazolin-5-one
CID 85296277
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 134527726
6-(3-chlorophenyl)piperidine-2,5-dione
CID 22106591

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione (CID 102567371) is 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1NC2=C(C(=O)OC2)C(c2cccc(Cl)c2)N1.
What is the InChIKey of 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is SVEDINNTCSLAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-7-3-1-2-6(4-7)10-9-8(5-18-11(9)16)14-12(17)15-10/h1-4,10H,5H2,(H2,14,15,17).
What are the key properties of 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 264.67 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 102567371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).