6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine

C14H11N3O3S — CID 133407813

IUPAC6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C14H11N3O3S/c1-8-3-4-11(17(18)19)12(5-8)20-13-10-6-9(2)21-14(10)16-7-15-13/h3-7H,1-2H3
InChIKeyDFDBMAZXKVZMQT-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.01
Rot. Bonds3

About 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine

6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine (PubChem CID 133407813) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
PubChem CID133407813
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccc([N+](=O)[O-])c(Oc2ncnc3sc(C)cc23)c1
InChIInChI=1S/C14H11N3O3S/c1-8-3-4-11(17(18)19)12(5-8)20-13-10-6-9(2)21-14(10)16-7-15-13/h3-7H,1-2H3
InChIKeyDFDBMAZXKVZMQT-UHFFFAOYSA-N
XLogP4.01
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-iodo-5-nitrophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133498802
5-bromo-4-(5-methyl-2-nitrophenoxy)pyrimidine
CID 66320498
3,5-dibromo-2-(5-methyl-2-nitrophenoxy)pyridine
CID 113413888
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133407602
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
5-bromo-2-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 107730175
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
6-methyl-4-(1-oxidopyridin-1-ium-2-yl)oxythieno[2,3-d]pyrimidine
CID 133407550
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80879033

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine (CID 133407813) is 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine is Cc1ccc([N+](=O)[O-])c(Oc2ncnc3sc(C)cc23)c1.
What is the InChIKey of 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is DFDBMAZXKVZMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8-3-4-11(17(18)19)12(5-8)20-13-10-6-9(2)21-14(10)16-7-15-13/h3-7H,1-2H3.
What are the key properties of 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine?
6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 301.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(5-methyl-2-nitrophenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).