2-chlorothieno[2,3-d]pyrimidin-6-amine

C6H4ClN3S — CID 126970535

IUPAC2-chlorothieno[2,3-d]pyrimidin-6-amine
SMILESNc1cc2cnc(Cl)nc2s1
InChIInChI=1S/C6H4ClN3S/c7-6-9-2-3-1-4(8)11-5(3)10-6/h1-2H,8H2
InChIKeyYJDIXWWDYSGVDM-UHFFFAOYSA-N
MW185.64 g/mol
LogP1.93
Rot. Bonds

About 2-chlorothieno[2,3-d]pyrimidin-6-amine

2-chlorothieno[2,3-d]pyrimidin-6-amine (PubChem CID 126970535) has the molecular formula C6H4ClN3S and a molecular weight of 185.64 g/mol. Its IUPAC name is 2-chlorothieno[2,3-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-chlorothieno[2,3-d]pyrimidin-6-amine
PubChem CID126970535
Molecular FormulaC6H4ClN3S
Molecular Weight185.64 g/mol
Exact Mass184.98
IUPAC Name2-chlorothieno[2,3-d]pyrimidin-6-amine
SMILESNc1cc2cnc(Cl)nc2s1
InChIInChI=1S/C6H4ClN3S/c7-6-9-2-3-1-4(8)11-5(3)10-6/h1-2H,8H2
InChIKeyYJDIXWWDYSGVDM-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 2-chlorothieno[2,3-d]pyrimidin-6-amine?
The IUPAC name of 2-chlorothieno[2,3-d]pyrimidin-6-amine (CID 126970535) is 2-chlorothieno[2,3-d]pyrimidin-6-amine.
What is the SMILES notation for 2-chlorothieno[2,3-d]pyrimidin-6-amine?
The canonical SMILES for 2-chlorothieno[2,3-d]pyrimidin-6-amine is Nc1cc2cnc(Cl)nc2s1.
What is the InChIKey of 2-chlorothieno[2,3-d]pyrimidin-6-amine?
The InChIKey is YJDIXWWDYSGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3S/c7-6-9-2-3-1-4(8)11-5(3)10-6/h1-2H,8H2.
What are the key properties of 2-chlorothieno[2,3-d]pyrimidin-6-amine?
2-chlorothieno[2,3-d]pyrimidin-6-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 2-chlorothieno[2,3-d]pyrimidin-6-amine is sourced from PubChem (CID 126970535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).