1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

C18H13ClN2O3S — CID 6486152

IUPAC1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1
InChIInChI=1S/C18H13ClN2O3S/c19-13-4-1-3-12(9-13)10-20-15-6-8-25-16(15)17(22)21(18(20)23)11-14-5-2-7-24-14/h1-9H,10-11H2
InChIKeyHHYALVDBXRIGCQ-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.57
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 6486152) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID6486152
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1
InChIInChI=1S/C18H13ClN2O3S/c19-13-4-1-3-12(9-13)10-20-15-6-8-25-16(15)17(22)21(18(20)23)11-14-5-2-7-24-14/h1-9H,10-11H2
InChIKeyHHYALVDBXRIGCQ-UHFFFAOYSA-N
XLogP3.57
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 6486152) is 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is O=c1c2sccc2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccco1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HHYALVDBXRIGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-13-4-1-3-12(9-13)10-20-15-6-8-25-16(15)17(22)21(18(20)23)11-14-5-2-7-24-14/h1-9H,10-11H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 372.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 6486152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).