4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine

C16H22N4OS — CID 124829142

IUPAC4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESCc1csc2c(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ncnc12
InChIInChI=1S/C16H22N4OS/c1-11-7-20(8-13(11)19-3-5-21-6-4-19)16-15-14(17-10-18-16)12(2)9-22-15/h9-11,13H,3-8H2,1-2H3/t11-,13+/m1/s1
InChIKeyLJDBMVCHMQVKTP-YPMHNXCESA-N
MW318.45 g/mol
LogP2.16
Rot. Bonds2

About 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine

4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (PubChem CID 124829142) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
PubChem CID124829142
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
SMILESCc1csc2c(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ncnc12
InChIInChI=1S/C16H22N4OS/c1-11-7-20(8-13(11)19-3-5-21-6-4-19)16-15-14(17-10-18-16)12(2)9-22-15/h9-11,13H,3-8H2,1-2H3/t11-,13+/m1/s1
InChIKeyLJDBMVCHMQVKTP-YPMHNXCESA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine (CID 124829142) is 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is Cc1csc2c(N3C[C@@H](C)[C@@H](N4CCOCC4)C3)ncnc12.
What is the InChIKey of 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
The InChIKey is LJDBMVCHMQVKTP-YPMHNXCESA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-7-20(8-13(11)19-3-5-21-6-4-19)16-15-14(17-10-18-16)12(2)9-22-15/h9-11,13H,3-8H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine?
4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine has a molecular weight of 318.45 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 124829142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).