4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride

C8H4Cl2N2OS — CID 87383771

IUPAC4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride
SMILESCc1c(C(=O)Cl)sc2ncnc(Cl)c12
InChIInChI=1S/C8H4Cl2N2OS/c1-3-4-6(9)11-2-12-8(4)14-5(3)7(10)13/h2H,1H3
InChIKeyCFLSUKBUSWRIIA-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride

4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride (PubChem CID 87383771) has the molecular formula C8H4Cl2N2OS and a molecular weight of 247.11 g/mol. Its IUPAC name is 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride
PubChem CID87383771
Molecular FormulaC8H4Cl2N2OS
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride
SMILESCc1c(C(=O)Cl)sc2ncnc(Cl)c12
InChIInChI=1S/C8H4Cl2N2OS/c1-3-4-6(9)11-2-12-8(4)14-5(3)7(10)13/h2H,1H3
InChIKeyCFLSUKBUSWRIIA-UHFFFAOYSA-N
XLogP3.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride?
The IUPAC name of 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride (CID 87383771) is 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride.
What is the SMILES notation for 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride?
The canonical SMILES for 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride is Cc1c(C(=O)Cl)sc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride?
The InChIKey is CFLSUKBUSWRIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2OS/c1-3-4-6(9)11-2-12-8(4)14-5(3)7(10)13/h2H,1H3.
What are the key properties of 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride?
4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride has a molecular weight of 247.11 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylthieno[2,3-d]pyrimidine-6-carbonyl chloride is sourced from PubChem (CID 87383771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).