5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C19H19N5S — CID 154877843

IUPAC5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCn3cncc3-c3ccccc3)c2c1C
InChIInChI=1S/C19H19N5S/c1-13-14(2)25-19-17(13)18(22-11-23-19)21-8-9-24-12-20-10-16(24)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)
InChIKeyHEOJKRCKHUURHM-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.28
Rot. Bonds5

About 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 154877843) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID154877843
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCCn3cncc3-c3ccccc3)c2c1C
InChIInChI=1S/C19H19N5S/c1-13-14(2)25-19-17(13)18(22-11-23-19)21-8-9-24-12-20-10-16(24)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)
InChIKeyHEOJKRCKHUURHM-UHFFFAOYSA-N
XLogP4.28
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 154877843) is 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCCn3cncc3-c3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HEOJKRCKHUURHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-13-14(2)25-19-17(13)18(22-11-23-19)21-8-9-24-12-20-10-16(24)15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(5-phenylimidazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154877843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).