4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

C8H11N3O2S — CID 105466719

IUPAC4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CS(=O)(=O)CC2
InChIInChI=1S/C8H11N3O2S/c1-5-6-4-14(12,13)3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)
InChIKeyLNYFMAJTBOJCCS-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.16
Rot. Bonds

About 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine

4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 105466719) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID105466719
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CS(=O)(=O)CC2
InChIInChI=1S/C8H11N3O2S/c1-5-6-4-14(12,13)3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)
InChIKeyLNYFMAJTBOJCCS-UHFFFAOYSA-N
XLogP-0.16
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 105466719) is 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is Cc1nc(N)nc2c1CS(=O)(=O)CC2.
What is the InChIKey of 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is LNYFMAJTBOJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c1-5-6-4-14(12,13)3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11).
What are the key properties of 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 213.26 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 105466719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).