N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

C13H21N5S — CID 103334096

IUPACN-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H21N5S/c1-4-6-7-18(3)11-10-8-9(5-2)19-12(10)16-13(15-11)17-14/h8H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeySEVRELLASYXVGK-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.78
Rot. Bonds6

About N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine

N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334096) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103334096
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCN(C)c1nc(NN)nc2sc(CC)cc12
InChIInChI=1S/C13H21N5S/c1-4-6-7-18(3)11-10-8-9(5-2)19-12(10)16-13(15-11)17-14/h8H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeySEVRELLASYXVGK-UHFFFAOYSA-N
XLogP2.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.78
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

6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029
N-(2,2-difluoroethyl)-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335769
N-butyl-N-cyclopropyl-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103332655
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103332235
N-ethyl-2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 103332914
N-cyclopropyl-6-ethyl-2-hydrazinyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103332146
6-ethyl-2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333041
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]ethanol
CID 103324497
4-N-[2-(dimethylamino)ethyl]-2-N,6-diethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327863
N-cyclohexyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334924

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 103334096) is N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCCCN(C)c1nc(NN)nc2sc(CC)cc12.
What is the InChIKey of N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SEVRELLASYXVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-4-6-7-18(3)11-10-8-9(5-2)19-12(10)16-13(15-11)17-14/h8H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).