6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine

C13H10N4O2S — CID 59647247

IUPAC6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine
SMILESCc1sc2ncnc(-c3cccc([N+](=O)[O-])c3)c2c1N
InChIInChI=1S/C13H10N4O2S/c1-7-11(14)10-12(15-6-16-13(10)20-7)8-3-2-4-9(5-8)17(18)19/h2-6H,14H2,1H3
InChIKeyLPHUWKNQTJWLSB-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.16
Rot. Bonds2

About 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine

6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 59647247) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine
PubChem CID59647247
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine
SMILESCc1sc2ncnc(-c3cccc([N+](=O)[O-])c3)c2c1N
InChIInChI=1S/C13H10N4O2S/c1-7-11(14)10-12(15-6-16-13(10)20-7)8-3-2-4-9(5-8)17(18)19/h2-6H,14H2,1H3
InChIKeyLPHUWKNQTJWLSB-UHFFFAOYSA-N
XLogP3.16
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.16
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

2,4-dimethyl-5-(3-nitrophenyl)thiophen-3-amine
CID 53443585
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
7-methyl-2-(3-nitrophenyl)-[1,3]thiazolo[5,4-d]pyrimidine
CID 23158990
1-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336848
2,6-difluoro-3-(3-nitrophenyl)aniline
CID 165455760
4-N-[5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28850524
4-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
N-(4-methylphenyl)-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635775
3-bromo-4-(3-nitrophenyl)-1,2,5-thiadiazole
CID 10755596
3-(3-nitrophenyl)-1,2-oxazol-5-amine
CID 20983345
N-methyl-1-[2-methyl-4-(3-nitrophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82540215
N-(2-chloro-4-nitrophenyl)-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010837

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine?
The IUPAC name of 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine (CID 59647247) is 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine?
The canonical SMILES for 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine is Cc1sc2ncnc(-c3cccc([N+](=O)[O-])c3)c2c1N.
What is the InChIKey of 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine?
The InChIKey is LPHUWKNQTJWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-7-11(14)10-12(15-6-16-13(10)20-7)8-3-2-4-9(5-8)17(18)19/h2-6H,14H2,1H3.
What are the key properties of 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine?
6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 286.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-nitrophenyl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 59647247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).