3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine

C11H17N3S — CID 105481225

IUPAC3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2c1CCSC2
InChIInChI=1S/C11H17N3S/c1-8-9-4-6-15-7-10(9)14-11(13-8)3-2-5-12/h2-7,12H2,1H3
InChIKeyBLWOZBPJTQQKBP-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.47
Rot. Bonds3

About 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine

3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine (PubChem CID 105481225) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
PubChem CID105481225
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2c1CCSC2
InChIInChI=1S/C11H17N3S/c1-8-9-4-6-15-7-10(9)14-11(13-8)3-2-5-12/h2-7,12H2,1H3
InChIKeyBLWOZBPJTQQKBP-UHFFFAOYSA-N
XLogP1.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine?
The IUPAC name of 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine (CID 105481225) is 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine is Cc1nc(CCCN)nc2c1CCSC2.
What is the InChIKey of 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine?
The InChIKey is BLWOZBPJTQQKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-8-9-4-6-15-7-10(9)14-11(13-8)3-2-5-12/h2-7,12H2,1H3.
What are the key properties of 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine?
3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 105481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).