1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine

C10H15N3S — CID 83848743

IUPAC1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
SMILESCc1nc2c(c(C(C)N)n1)CSCC2
InChIInChI=1S/C10H15N3S/c1-6(11)10-8-5-14-4-3-9(8)12-7(2)13-10/h6H,3-5,11H2,1-2H3
InChIKeyHWKCBSZPPDDHET-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.59
Rot. Bonds1

About 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine

1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine (PubChem CID 83848743) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
PubChem CID83848743
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
SMILESCc1nc2c(c(C(C)N)n1)CSCC2
InChIInChI=1S/C10H15N3S/c1-6(11)10-8-5-14-4-3-9(8)12-7(2)13-10/h6H,3-5,11H2,1-2H3
InChIKeyHWKCBSZPPDDHET-UHFFFAOYSA-N
XLogP1.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine (CID 83848743) is 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine is Cc1nc2c(c(C(C)N)n1)CSCC2.
What is the InChIKey of 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine?
The InChIKey is HWKCBSZPPDDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-6(11)10-8-5-14-4-3-9(8)12-7(2)13-10/h6H,3-5,11H2,1-2H3.
What are the key properties of 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine?
1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine has a molecular weight of 209.32 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83848743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).