2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C20H21N5O2S — CID 133355680

IUPAC2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(COC)nc2scc(-c3ccccc3)c12)c1noc(C)n1
InChIInChI=1S/C20H21N5O2S/c1-4-15(18-21-12(2)27-25-18)22-19-17-14(13-8-6-5-7-9-13)11-28-20(17)24-16(23-19)10-26-3/h5-9,11,15H,4,10H2,1-3H3,(H,22,23,24)
InChIKeyRAMBZHWYRHSDTJ-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.76
Rot. Bonds7

About 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133355680) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133355680
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(Nc1nc(COC)nc2scc(-c3ccccc3)c12)c1noc(C)n1
InChIInChI=1S/C20H21N5O2S/c1-4-15(18-21-12(2)27-25-18)22-19-17-14(13-8-6-5-7-9-13)11-28-20(17)24-16(23-19)10-26-3/h5-9,11,15H,4,10H2,1-3H3,(H,22,23,24)
InChIKeyRAMBZHWYRHSDTJ-UHFFFAOYSA-N
XLogP4.76
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(dimethylamino)methyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133355718
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97253810
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
2-(methoxymethyl)-5-phenyl-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133278697
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
2-(methoxymethyl)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 133279000
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133279193

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 133355680) is 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is CCC(Nc1nc(COC)nc2scc(-c3ccccc3)c12)c1noc(C)n1.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RAMBZHWYRHSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-4-15(18-21-12(2)27-25-18)22-19-17-14(13-8-6-5-7-9-13)11-28-20(17)24-16(23-19)10-26-3/h5-9,11,15H,4,10H2,1-3H3,(H,22,23,24).
What are the key properties of 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 395.49 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133355680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).