N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H11Cl2N5S — CID 103334287

IUPACN-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3Cl)nc(NN)nc2s1
InChIInChI=1S/C13H11Cl2N5S/c1-6-4-8-11(18-13(20-16)19-12(8)21-6)17-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H2,17,18,19,20)
InChIKeyNLAJVMBCVNIVIM-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.34
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334287) has the molecular formula C13H11Cl2N5S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334287
Molecular FormulaC13H11Cl2N5S
Molecular Weight340.24 g/mol
Exact Mass339.01
IUPAC NameN-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3Cl)nc(NN)nc2s1
InChIInChI=1S/C13H11Cl2N5S/c1-6-4-8-11(18-13(20-16)19-12(8)21-6)17-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H2,17,18,19,20)
InChIKeyNLAJVMBCVNIVIM-UHFFFAOYSA-N
XLogP4.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336532
N-(3,4-dimethylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334159
N-(2-chlorophenyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103334852
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-hydrazinyl-6-methyl-N-(2,4,4-trimethylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333150

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103334287) is N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(Cl)ccc3Cl)nc(NN)nc2s1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NLAJVMBCVNIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5S/c1-6-4-8-11(18-13(20-16)19-12(8)21-6)17-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).