4-chlorothieno[3,2-d]pyrimidine-6-carboxamide

C7H4ClN3OS — CID 71654770

IUPAC4-chlorothieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H4ClN3OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H,(H2,9,12)
InChIKeyUGHXFHLQVJRWID-UHFFFAOYSA-N
MW213.65 g/mol
LogP1.44
Rot. Bonds1

About 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide

4-chlorothieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654770) has the molecular formula C7H4ClN3OS and a molecular weight of 213.65 g/mol. Its IUPAC name is 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-chlorothieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654770
Molecular FormulaC7H4ClN3OS
Molecular Weight213.65 g/mol
Exact Mass212.98
IUPAC Name4-chlorothieno[3,2-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C7H4ClN3OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H,(H2,9,12)
InChIKeyUGHXFHLQVJRWID-UHFFFAOYSA-N
XLogP1.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide (CID 71654770) is 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide is NC(=O)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is UGHXFHLQVJRWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3OS/c8-6-5-3(10-2-11-6)1-4(13-5)7(9)12/h1-2H,(H2,9,12).
What are the key properties of 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide?
4-chlorothieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 213.65 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).