N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

C15H16N4S — CID 7997202

IUPACN-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C15H16N4S/c1-19(2)12-5-3-11(4-6-12)9-16-14-13-7-8-20-15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyXQMDGOXBTHVWSK-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.37
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine

N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 7997202) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID7997202
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CNc2ncnc3sccc23)cc1
InChIInChI=1S/C15H16N4S/c1-19(2)12-5-3-11(4-6-12)9-16-14-13-7-8-20-15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyXQMDGOXBTHVWSK-UHFFFAOYSA-N
XLogP3.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 7997202) is N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(CNc2ncnc3sccc23)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XQMDGOXBTHVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-19(2)12-5-3-11(4-6-12)9-16-14-13-7-8-20-15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 284.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 7997202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).