N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

C14H15N5S — CID 80937710

IUPACN-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H15N5S/c1-2-12-17-13(8-14(18-12)19-15)16-10-3-4-11-9(7-10)5-6-20-11/h3-8H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyMYLJGNKGSUUJQK-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.28
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine

N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (PubChem CID 80937710) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
PubChem CID80937710
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(Nc2ccc3sccc3c2)n1
InChIInChI=1S/C14H15N5S/c1-2-12-17-13(8-14(18-12)19-15)16-10-3-4-11-9(7-10)5-6-20-11/h3-8H,2,15H2,1H3,(H2,16,17,18,19)
InChIKeyMYLJGNKGSUUJQK-UHFFFAOYSA-N
XLogP3.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.28
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

N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868
N-(3-bromo-4-iodophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 114262880
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
2-N-(1-benzothiophen-5-yl)-6-methoxypyridine-2,5-diamine
CID 65475431
2-N-(1-benzothiophen-5-yl)-4-methylpyridine-2,5-diamine
CID 79175673
4-N-(1-benzothiophen-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80982098
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
2-N-(1-benzothiophen-5-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 65475242
N-(2-chlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80938024

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine (CID 80937710) is N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(Nc2ccc3sccc3c2)n1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
The InChIKey is MYLJGNKGSUUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-12-17-13(8-14(18-12)19-15)16-10-3-4-11-9(7-10)5-6-20-11/h3-8H,2,15H2,1H3,(H2,16,17,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine?
N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine has a molecular weight of 285.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-ethyl-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80937710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).