3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol

C16H10N4OS — CID 24855049

IUPAC3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cncnc3)c3sccc3n2)c1
InChIInChI=1S/C16H10N4OS/c21-12-3-1-2-10(6-12)16-19-13-4-5-22-15(13)14(20-16)11-7-17-9-18-8-11/h1-9,21H
InChIKeyHWCWGIPSZQGRNZ-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol

3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol (PubChem CID 24855049) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol
PubChem CID24855049
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3cncnc3)c3sccc3n2)c1
InChIInChI=1S/C16H10N4OS/c21-12-3-1-2-10(6-12)16-19-13-4-5-22-15(13)14(20-16)11-7-17-9-18-8-11/h1-9,21H
InChIKeyHWCWGIPSZQGRNZ-UHFFFAOYSA-N
XLogP3.52
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.52
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]pyridine-2-carbonitrile
CID 24855098
[4-[2-(3-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-yl]-2-pyridinyl] carbamate
CID 118690816
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylthieno[3,2-d]pyrimidine
CID 130210848
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
3-(5-pyrimidin-5-ylnaphthalen-2-yl)phenol
CID 50942608
ethyl carbonochloridate;ethyl [3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl] carbonate;3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol
CID 158923662
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
3-(5-thieno[3,2-b]thiophen-5-yl-1,2,4-oxadiazol-3-yl)phenol
CID 78960928
3-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 137370789
N,N-diethyl-3-(2-methylthieno[3,2-d]pyrimidin-4-yl)benzamide
CID 157018895
5-(3-pyrimidin-5-ylphenyl)pyrimidine
CID 101127667
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
CID 57107564

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The IUPAC name of 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol (CID 24855049) is 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol.
What is the SMILES notation for 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The canonical SMILES for 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol is Oc1cccc(-c2nc(-c3cncnc3)c3sccc3n2)c1.
What is the InChIKey of 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
The InChIKey is HWCWGIPSZQGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c21-12-3-1-2-10(6-12)16-19-13-4-5-22-15(13)14(20-16)11-7-17-9-18-8-11/h1-9,21H.
What are the key properties of 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol?
3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol has a molecular weight of 306.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-5-ylthieno[3,2-d]pyrimidin-2-yl)phenol is sourced from PubChem (CID 24855049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).