4-(4-methylphenoxy)thieno[2,3-d]pyrimidine

C13H10N2OS — CID 710977

IUPAC4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)16-12-11-6-7-17-13(11)15-8-14-12/h2-8H,1H3
InChIKeyKHCCAFWAFKWTTB-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine

4-(4-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 710977) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID710977
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)16-12-11-6-7-17-13(11)15-8-14-12/h2-8H,1H3
InChIKeyKHCCAFWAFKWTTB-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
2-Methylthieno[2,3-d]pyrimidin-4-yl phenyl ether
CID 1233965
N-[(3,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457290
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
N-[(2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2443590
1-[2-(2-Thieno[2,3-d]pyrimidin-4-yloxyethoxy)phenyl]ethanone
CID 2461173
T5282004
CID 2468821
Methyl 4-(thieno[2,3-d]pyrimidin-4-yloxymethyl)benzoate
CID 2469744
N-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 5157219

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine (CID 710977) is 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine is Cc1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is KHCCAFWAFKWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-2-4-10(5-3-9)16-12-11-6-7-17-13(11)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine?
4-(4-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 242.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 710977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).