3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C13H15N5O2S — CID 102685383

IUPAC3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc12
InChIInChI=1S/C13H15N5O2S/c1-7-5-21-10-9(7)15-6-18(11(10)19)4-8-16-12(17-20-8)13(2,3)14/h5-6H,4,14H2,1-3H3
InChIKeyGGWQPNXGOHQZTD-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.39
Rot. Bonds3

About 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 102685383) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID102685383
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc12
InChIInChI=1S/C13H15N5O2S/c1-7-5-21-10-9(7)15-6-18(11(10)19)4-8-16-12(17-20-8)13(2,3)14/h5-6H,4,14H2,1-3H3
InChIKeyGGWQPNXGOHQZTD-UHFFFAOYSA-N
XLogP1.39
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685671
7-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685782
5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63276931
3-[(3,5-dimethylphenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685812
3-[(5-chlorothiophen-2-yl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39804649
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340492
7-methyl-3-[(4-methylpyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 146130098
3-methyl-5-[(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]furan-2-carboxylic acid
CID 102685310
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
7-methyl-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 135891005
3-[(E)-3-chloroprop-2-enyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685617

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 102685383) is 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc12.
What is the InChIKey of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is GGWQPNXGOHQZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-7-5-21-10-9(7)15-6-18(11(10)19)4-8-16-12(17-20-8)13(2,3)14/h5-6H,4,14H2,1-3H3.
What are the key properties of 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102685383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).