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

C8H11N3S — CID 2726820

IUPAC4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CSCC2
InChIInChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)
InChIKeyONZWAEXRMZGFAN-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.16
Rot. Bonds

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

4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (PubChem CID 2726820) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
PubChem CID2726820
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
SMILESCc1nc(N)nc2c1CSCC2
InChIInChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11)
InChIKeyONZWAEXRMZGFAN-UHFFFAOYSA-N
XLogP1.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The IUPAC name of 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (CID 2726820) is 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is Cc1nc(N)nc2c1CSCC2.
What is the InChIKey of 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
The InChIKey is ONZWAEXRMZGFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-5-6-4-12-3-2-7(6)11-8(9)10-5/h2-4H2,1H3,(H2,9,10,11).
What are the key properties of 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine?
4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine has a molecular weight of 181.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 2726820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).