4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile

C18H10N4OS — CID 24855098

IUPAC4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H10N4OS/c19-10-13-8-11(4-6-20-13)16-17-15(5-7-24-17)21-18(22-16)12-2-1-3-14(23)9-12/h1-9,23H
InChIKeyXDTWBJBBFYBFHL-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.00
Rot. Bonds2

About 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile

4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 24855098) has the molecular formula C18H10N4OS and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile
PubChem CID24855098
Molecular FormulaC18H10N4OS
Molecular Weight330.37 g/mol
Exact Mass330.06
IUPAC Name4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1
InChIInChI=1S/C18H10N4OS/c19-10-13-8-11(4-6-20-13)16-17-15(5-7-24-17)21-18(22-16)12-2-1-3-14(23)9-12/h1-9,23H
InChIKeyXDTWBJBBFYBFHL-UHFFFAOYSA-N
XLogP4.00
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
CID 118690816
3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 24855049
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
CID 130210848
4-(2-hydroxyphenyl)pyridine-2-carbonitrile
CID 136982033
4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenylthieno[3,2-d]pyrimidine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylfuro[3,2-d]pyrimidine;tri(quinolin-8-yloxy)alumane
CID 159947957
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
2-(2-cyano-4-pyridinyl)pyrimidine-4-carboxylic acid
CID 130454649
3-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]phenol
CID 64993453
4-[6-[5-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 126542233
4-[6-[7-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]dibenzothiophen-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397775
3-[2-(difluoromethyl)-4-pyridinyl]phenol
CID 165475552

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 24855098) is 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1.
What is the InChIKey of 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is XDTWBJBBFYBFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4OS/c19-10-13-8-11(4-6-20-13)16-17-15(5-7-24-17)21-18(22-16)12-2-1-3-14(23)9-12/h1-9,23H.
What are the key properties of 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile?
4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 330.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 24855098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).