2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine

C8H11N3OS — CID 55280138

IUPAC2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine
SMILESCSc1ncc2c(n1)OCC(N)C2
InChIInChI=1S/C8H11N3OS/c1-13-8-10-3-5-2-6(9)4-12-7(5)11-8/h3,6H,2,4,9H2,1H3
InChIKeyGCWPVLPRVLRPHT-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.46
Rot. Bonds1

About 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine

2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine (PubChem CID 55280138) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine.

Molecular Properties

Compound Name2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine
PubChem CID55280138
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine
SMILESCSc1ncc2c(n1)OCC(N)C2
InChIInChI=1S/C8H11N3OS/c1-13-8-10-3-5-2-6(9)4-12-7(5)11-8/h3,6H,2,4,9H2,1H3
InChIKeyGCWPVLPRVLRPHT-UHFFFAOYSA-N
XLogP0.46
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine?
The IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine (CID 55280138) is 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine.
What is the SMILES notation for 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine?
The canonical SMILES for 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine is CSc1ncc2c(n1)OCC(N)C2.
What is the InChIKey of 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine?
The InChIKey is GCWPVLPRVLRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-13-8-10-3-5-2-6(9)4-12-7(5)11-8/h3,6H,2,4,9H2,1H3.
What are the key properties of 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine?
2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine has a molecular weight of 197.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine is sourced from PubChem (CID 55280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).