N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline

C15H17N5S — CID 62246450

IUPACN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2nc(NN)c3ccsc3n2)c1
InChIInChI=1S/C15H17N5S/c1-10-4-3-5-11(8-10)20(2)9-13-17-14(19-16)12-6-7-21-15(12)18-13/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyBSSSVMCWNCWBSG-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds4

About N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline (PubChem CID 62246450) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
PubChem CID62246450
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2nc(NN)c3ccsc3n2)c1
InChIInChI=1S/C15H17N5S/c1-10-4-3-5-11(8-10)20(2)9-13-17-14(19-16)12-6-7-21-15(12)18-13/h3-8H,9,16H2,1-2H3,(H,17,18,19)
InChIKeyBSSSVMCWNCWBSG-UHFFFAOYSA-N
XLogP2.92
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
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

2-[(N,3-dimethylanilino)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62184069
N-ethyl-2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178950
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
CID 62244736
2-[(N-methylanilino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62177002
[2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62250650
N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]ethanamine
CID 62245884
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
CID 82744158
[2-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62502703
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-N,3-dimethylaniline
CID 79764122
[2-[(3-iodophenoxy)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244527
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-methylpyrimidin-2-one
CID 114217439
[2-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 79965201

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline?
The IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline (CID 62246450) is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2nc(NN)c3ccsc3n2)c1.
What is the InChIKey of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline?
The InChIKey is BSSSVMCWNCWBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-4-3-5-11(8-10)20(2)9-13-17-14(19-16)12-6-7-21-15(12)18-13/h3-8H,9,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline?
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline has a molecular weight of 299.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62246450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).