4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine

C14H20N4OS — CID 95329742

IUPAC4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3ccsc23)C[C@H]1C
InChIInChI=1S/C14H20N4OS/c1-11-9-18(5-4-17(11)6-7-19-2)14-13-12(3-8-20-13)15-10-16-14/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1
InChIKeyVHPLSLLZRKUXIW-LLVKDONJSA-N
MW292.41 g/mol
LogP1.85
Rot. Bonds4

About 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine

4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 95329742) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID95329742
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCOCCN1CCN(c2ncnc3ccsc23)C[C@H]1C
InChIInChI=1S/C14H20N4OS/c1-11-9-18(5-4-17(11)6-7-19-2)14-13-12(3-8-20-13)15-10-16-14/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1
InChIKeyVHPLSLLZRKUXIW-LLVKDONJSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine (CID 95329742) is 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine is COCCN1CCN(c2ncnc3ccsc23)C[C@H]1C.
What is the InChIKey of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is VHPLSLLZRKUXIW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-11-9-18(5-4-17(11)6-7-19-2)14-13-12(3-8-20-13)15-10-16-14/h3,8,10-11H,4-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 292.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 95329742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).