N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine

C11H15N5S — CID 80926173

IUPACN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccsc1CNc1cc(NN)ncn1
InChIInChI=1S/C11H15N5S/c1-2-8-3-4-17-9(8)6-13-10-5-11(16-12)15-7-14-10/h3-5,7H,2,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyCJSKHLGFZKNLFX-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.00
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine

N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80926173) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80926173
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1ccsc1CNc1cc(NN)ncn1
InChIInChI=1S/C11H15N5S/c1-2-8-3-4-17-9(8)6-13-10-5-11(16-12)15-7-14-10/h3-5,7H,2,6,12H2,1H3,(H2,13,14,15,16)
InChIKeyCJSKHLGFZKNLFX-UHFFFAOYSA-N
XLogP2.00
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 80926173) is N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine is CCc1ccsc1CNc1cc(NN)ncn1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is CJSKHLGFZKNLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-8-3-4-17-9(8)6-13-10-5-11(16-12)15-7-14-10/h3-5,7H,2,6,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine?
N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80926173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).