6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid

C8H8N2O2S — CID 119053687

IUPAC6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1Cc2cncnc2CS1
InChIInChI=1S/C8H8N2O2S/c11-8(12)7-1-5-2-9-4-10-6(5)3-13-7/h2,4,7H,1,3H2,(H,11,12)
InChIKeyWDHXOIXXLHGVPQ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.72
Rot. Bonds1

About 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid

6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid (PubChem CID 119053687) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid
PubChem CID119053687
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1Cc2cncnc2CS1
InChIInChI=1S/C8H8N2O2S/c11-8(12)7-1-5-2-9-4-10-6(5)3-13-7/h2,4,7H,1,3H2,(H,11,12)
InChIKeyWDHXOIXXLHGVPQ-UHFFFAOYSA-N
XLogP0.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-tetrahydroquinazoline-7-carboxylic acid
CID 83816750
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
2,4-diazabicyclo[4.1.0]hepta-1,3,5-triene;methyl acetate
CID 174493888
(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
CID 67281220
6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
CID 58852290
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
(2S)-4-methyl-2-[methyl(5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]pentanoic acid
CID 154746894
(1S,6R)-2-(5,6,7,8-tetrahydroquinazoline-6-carbonyl)-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 154867341
6-hydroxy-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 175171276
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
CID 81425753

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid (CID 119053687) is 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid is O=C(O)C1Cc2cncnc2CS1.
What is the InChIKey of 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid?
The InChIKey is WDHXOIXXLHGVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c11-8(12)7-1-5-2-9-4-10-6(5)3-13-7/h2,4,7H,1,3H2,(H,11,12).
What are the key properties of 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid?
6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 119053687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).