(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone

C12H7ClN2O2S — CID 121003906

IUPAC(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(Cl)nc3ccsc23)o1
InChIInChI=1S/C12H7ClN2O2S/c1-6-2-3-8(17-6)10(16)9-11-7(4-5-18-11)14-12(13)15-9/h2-5H,1H3
InChIKeyVVOWHANTYCDHTG-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.48
Rot. Bonds2

About (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone

(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 121003906) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone
PubChem CID121003906
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)c2nc(Cl)nc3ccsc23)o1
InChIInChI=1S/C12H7ClN2O2S/c1-6-2-3-8(17-6)10(16)9-11-7(4-5-18-11)14-12(13)15-9/h2-5H,1H3
InChIKeyVVOWHANTYCDHTG-UHFFFAOYSA-N
XLogP3.48
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone (CID 121003906) is (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)c2nc(Cl)nc3ccsc23)o1.
What is the InChIKey of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is VVOWHANTYCDHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c1-6-2-3-8(17-6)10(16)9-11-7(4-5-18-11)14-12(13)15-9/h2-5H,1H3.
What are the key properties of (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone?
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 278.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothieno[3,2-d]pyrimidin-4-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 121003906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).