2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine

C7H8ClN3S — CID 13307218

IUPAC2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1SCCC2
InChIInChI=1S/C7H8ClN3S/c8-7-10-4-2-1-3-12-5(4)6(9)11-7/h1-3H2,(H2,9,10,11)
InChIKeyYVIZUDQMKQIGCZ-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.75
Rot. Bonds

About 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine

2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine (PubChem CID 13307218) has the molecular formula C7H8ClN3S and a molecular weight of 201.68 g/mol. Its IUPAC name is 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
PubChem CID13307218
Molecular FormulaC7H8ClN3S
Molecular Weight201.68 g/mol
Exact Mass201.01
IUPAC Name2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
SMILESNc1nc(Cl)nc2c1SCCC2
InChIInChI=1S/C7H8ClN3S/c8-7-10-4-2-1-3-12-5(4)6(9)11-7/h1-3H2,(H2,9,10,11)
InChIKeyYVIZUDQMKQIGCZ-UHFFFAOYSA-N
XLogP1.75
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine (CID 13307218) is 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine is Nc1nc(Cl)nc2c1SCCC2.
What is the InChIKey of 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The InChIKey is YVIZUDQMKQIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3S/c8-7-10-4-2-1-3-12-5(4)6(9)11-7/h1-3H2,(H2,9,10,11).
What are the key properties of 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine has a molecular weight of 201.68 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 13307218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).