2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine

C8H8N2S2 — CID 154445960

IUPAC2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)C=CSC2
InChIInChI=1S/C8H8N2S2/c1-11-8-9-4-6-5-12-3-2-7(6)10-8/h2-4H,5H2,1H3
InChIKeyRGRXVMWRLBDUGR-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.42
Rot. Bonds1

About 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine

2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine (PubChem CID 154445960) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine
PubChem CID154445960
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine
SMILESCSc1ncc2c(n1)C=CSC2
InChIInChI=1S/C8H8N2S2/c1-11-8-9-4-6-5-12-3-2-7(6)10-8/h2-4H,5H2,1H3
InChIKeyRGRXVMWRLBDUGR-UHFFFAOYSA-N
XLogP2.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 90356390
5-methyl-2,4-bis(methylsulfanyl)pyrimidine
CID 11401210
5-bromo-4-fluoro-2-methylsulfanylpyrimidine
CID 167727810
2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine
CID 55280138
N-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-8-amine
CID 83884697
6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
CID 21039988
N-methyl-1-(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl)methanamine
CID 83884700
2-methylsulfanylpyrimidin-5-ol
CID 588357
N,N,5-trimethyl-2-methylsulfanylpyrimidin-4-amine
CID 134834110
5-fluoro-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 21077592
1-(2-fluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540326
(5-bromo-2-methylsulfanylpyrimidin-4-yl)oxyphosphane
CID 71229136

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine?
The IUPAC name of 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine (CID 154445960) is 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine is CSc1ncc2c(n1)C=CSC2.
What is the InChIKey of 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine?
The InChIKey is RGRXVMWRLBDUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-11-8-9-4-6-5-12-3-2-7(6)10-8/h2-4H,5H2,1H3.
What are the key properties of 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine?
2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine has a molecular weight of 196.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5H-thiopyrano[4,3-d]pyrimidine is sourced from PubChem (CID 154445960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).