5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

C19H23N3OS — CID 52679182

IUPAC5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCOCc1ccccc1CNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H23N3OS/c1-4-9-23-11-16-8-6-5-7-15(16)10-20-18-17-13(2)14(3)24-19(17)22-12-21-18/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,22)
InChIKeySVMMOJIOBWKBKZ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.85
Rot. Bonds7

About 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 52679182) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID52679182
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCCOCc1ccccc1CNc1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H23N3OS/c1-4-9-23-11-16-8-6-5-7-15(16)10-20-18-17-13(2)14(3)24-19(17)22-12-21-18/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,22)
InChIKeySVMMOJIOBWKBKZ-UHFFFAOYSA-N
XLogP4.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
5,6-dimethyl-N-(1H-pyrazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 54897353
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60706733
N-(2-ethyl-6-methylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 28695534
5,6-dimethyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 835079
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
N-but-2-ynyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 115865541
N-[(2-methylphenyl)methyl]-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 71456855
N-[(4-bromothiophen-2-yl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60965281
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 138044737

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 52679182) is 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCCOCc1ccccc1CNc1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SVMMOJIOBWKBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-4-9-23-11-16-8-6-5-7-15(16)10-20-18-17-13(2)14(3)24-19(17)22-12-21-18/h5-8,12H,4,9-11H2,1-3H3,(H,20,21,22).
What are the key properties of 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 341.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 52679182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).