4-chlorothieno[2,3-d]pyrimidin-2-amine

C6H4ClN3S — CID 55283246

IUPAC4-chlorothieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C6H4ClN3S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H2,8,9,10)
InChIKeyBVNPVJNODGJRKH-UHFFFAOYSA-N
MW185.64 g/mol
LogP1.93
Rot. Bonds

About 4-chlorothieno[2,3-d]pyrimidin-2-amine

4-chlorothieno[2,3-d]pyrimidin-2-amine (PubChem CID 55283246) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 4-chlorothieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chlorothieno[2,3-d]pyrimidin-2-amine
PubChem CID55283246
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name4-chlorothieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C6H4ClN3S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H2,8,9,10)
InChIKeyBVNPVJNODGJRKH-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chlorothieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chlorothieno[2,3-d]pyrimidin-2-amine (CID 55283246) is 4-chlorothieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chlorothieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chlorothieno[2,3-d]pyrimidin-2-amine is Nc1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chlorothieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BVNPVJNODGJRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H,(H2,8,9,10).
What are the key properties of 4-chlorothieno[2,3-d]pyrimidin-2-amine?
4-chlorothieno[2,3-d]pyrimidin-2-amine has a molecular weight of 185.64 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorothieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 55283246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).