2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine

C8H12N2S — CID 175795860

IUPAC2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine
SMILESCC1=NCC2=C(CCSC2)N1
InChIInChI=1S/C8H12N2S/c1-6-9-4-7-5-11-3-2-8(7)10-6/h2-5H2,1H3,(H,9,10)
InChIKeyYTTUHJYNKIZIFN-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.40
Rot. Bonds

About 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine

2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine (PubChem CID 175795860) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine
PubChem CID175795860
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine
SMILESCC1=NCC2=C(CCSC2)N1
InChIInChI=1S/C8H12N2S/c1-6-9-4-7-5-11-3-2-8(7)10-6/h2-5H2,1H3,(H,9,10)
InChIKeyYTTUHJYNKIZIFN-UHFFFAOYSA-N
XLogP1.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine?
The IUPAC name of 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine (CID 175795860) is 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine is CC1=NCC2=C(CCSC2)N1.
What is the InChIKey of 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine?
The InChIKey is YTTUHJYNKIZIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-9-4-7-5-11-3-2-8(7)10-6/h2-5H2,1H3,(H,9,10).
What are the key properties of 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine?
2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine has a molecular weight of 168.26 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,7,8-tetrahydro-1H-thiopyrano[4,3-d]pyrimidine is sourced from PubChem (CID 175795860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).