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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Related Compounds

7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-amine
CID 137480568
1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 168786808
8-bromo-3-methylsulfanyl-6H-isochromeno[3,4-d]pyrimidine
CID 167503185
N-methyl-1-(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl)methanamine
CID 83884700
4-[(3R)-3-amino-3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl]piperazine-1-carboxylic acid
CID 146349530
2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine
CID 154445960
N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine
CID 83884697
1-(2-fluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540326
1-(2,2-difluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540075
cyclopentanamine;2-methylsulfanylpyrimidine-5-carboxylic acid
CID 174839312
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
5-methyl-2,4-bis(methylsulfanyl)pyrimidine
CID 11401210

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).