3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol

C19H16N4OS — CID 24855094

IUPAC3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCN(C)c1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C19H16N4OS/c1-23(2)16-11-12(6-8-20-16)17-18-15(7-9-25-18)21-19(22-17)13-4-3-5-14(24)10-13/h3-11,24H,1-2H3
InChIKeyCGHQUFGFBQJYDV-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.19
Rot. Bonds3

About 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol

3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 24855094) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol
PubChem CID24855094
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol
SMILESCN(C)c1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C19H16N4OS/c1-23(2)16-11-12(6-8-20-16)17-18-15(7-9-25-18)21-19(22-17)13-4-3-5-14(24)10-13/h3-11,24H,1-2H3
InChIKeyCGHQUFGFBQJYDV-UHFFFAOYSA-N
XLogP4.19
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol (CID 24855094) is 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol is CN(C)c1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1.
What is the InChIKey of 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is CGHQUFGFBQJYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-23(2)16-11-12(6-8-20-16)17-18-15(7-9-25-18)21-19(22-17)13-4-3-5-14(24)10-13/h3-11,24H,1-2H3.
What are the key properties of 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol?
3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 348.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 24855094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).