7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine

C13H9BrN4O2S — CID 134540277

IUPAC7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1Nc1ncnc2c(Br)csc12
InChIInChI=1S/C13H9BrN4O2S/c1-7-3-2-4-9(18(19)20)10(7)17-13-12-11(15-6-16-13)8(14)5-21-12/h2-6H,1H3,(H,15,16,17)
InChIKeyJDCCMIRAJGFUFB-UHFFFAOYSA-N
MW365.21 g/mol
LogP4.41
Rot. Bonds3

About 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine

7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 134540277) has the molecular formula C13H9BrN4O2S and a molecular weight of 365.21 g/mol. Its IUPAC name is 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID134540277
Molecular FormulaC13H9BrN4O2S
Molecular Weight365.21 g/mol
Exact Mass363.96
IUPAC Name7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cccc([N+](=O)[O-])c1Nc1ncnc2c(Br)csc12
InChIInChI=1S/C13H9BrN4O2S/c1-7-3-2-4-9(18(19)20)10(7)17-13-12-11(15-6-16-13)8(14)5-21-12/h2-6H,1H3,(H,15,16,17)
InChIKeyJDCCMIRAJGFUFB-UHFFFAOYSA-N
XLogP4.41
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 54.41
H-Bond Donors ≤ 51
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

5-bromo-3-methyl-N-(2-methyl-6-nitrophenyl)pyrazin-2-amine
CID 170960308
N-bromo-2-methyl-6-nitroaniline
CID 140553007
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687355
4-N-(2-chloro-6-methylphenyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80832276
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
5-bromo-N-(4-methyl-3-nitrophenyl)pyrimidin-4-amine
CID 66342408
N-(2-hydroxyethyl)-4-[2-methyl-6-(prop-2-enoylamino)anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 134540283
N-(2-methyl-6-nitrophenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
CID 71296505
3-nitro-N-(2,4,6-trimethylphenyl)pyridin-2-amine
CID 23279474
6-methoxy-N-(2-methyl-6-nitrophenyl)pyrimidine-4-carboxamide
CID 121167331
2-ethyl-2-N-(2-methyl-6-nitrophenyl)butane-1,2-diamine
CID 115553875
[2-methyl-6-(2-methyl-6-nitroanilino)-5-nitropyrimidin-4-yl] 4-methylbenzenesulfonate
CID 101103564

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine (CID 134540277) is 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine is Cc1cccc([N+](=O)[O-])c1Nc1ncnc2c(Br)csc12.
What is the InChIKey of 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JDCCMIRAJGFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2S/c1-7-3-2-4-9(18(19)20)10(7)17-13-12-11(15-6-16-13)8(14)5-21-12/h2-6H,1H3,(H,15,16,17).
What are the key properties of 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine?
7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 365.21 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 134540277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).