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

C7H8ClN3S — CID 13307155

IUPAC4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C7H8ClN3S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2,(H2,9,10,11)
InChIKeyBYDDYIAAWSEFJA-UHFFFAOYSA-N
MW201.68 g/mol
LogP1.75
Rot. Bonds

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

4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine (PubChem CID 13307155) has the molecular formula C7H8ClN3S and a molecular weight of 201.68 g/mol. Its IUPAC name is 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine
PubChem CID13307155
Molecular FormulaC7H8ClN3S
Molecular Weight201.68 g/mol
Exact Mass201.01
IUPAC Name4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine
SMILESNc1nc(Cl)c2c(n1)CCCS2
InChIInChI=1S/C7H8ClN3S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2,(H2,9,10,11)
InChIKeyBYDDYIAAWSEFJA-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 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine (CID 13307155) is 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine is Nc1nc(Cl)c2c(n1)CCCS2.
What is the InChIKey of 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine?
The InChIKey is BYDDYIAAWSEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3S/c8-6-5-4(2-1-3-12-5)10-7(9)11-6/h1-3H2,(H2,9,10,11).
What are the key properties of 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine?
4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-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 4-chloro-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 13307155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).