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

C8H10ClN3S — CID 13307212

IUPAC2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1SCCC2
InChIInChI=1S/C8H10ClN3S/c1-10-7-6-5(3-2-4-13-6)11-8(9)12-7/h2-4H2,1H3,(H,10,11,12)
InChIKeyVKSSOAJDBOABRI-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.21
Rot. Bonds1

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

2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine (PubChem CID 13307212) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
PubChem CID13307212
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
SMILESCNc1nc(Cl)nc2c1SCCC2
InChIInChI=1S/C8H10ClN3S/c1-10-7-6-5(3-2-4-13-6)11-8(9)12-7/h2-4H2,1H3,(H,10,11,12)
InChIKeyVKSSOAJDBOABRI-UHFFFAOYSA-N
XLogP2.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine (CID 13307212) is 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine is CNc1nc(Cl)nc2c1SCCC2.
What is the InChIKey of 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
The InChIKey is VKSSOAJDBOABRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-10-7-6-5(3-2-4-13-6)11-8(9)12-7/h2-4H2,1H3,(H,10,11,12).
What are the key properties of 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine?
2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine has a molecular weight of 215.71 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 13307212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).