5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine

C10H12ClN5O — CID 80907426

IUPAC5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Cl)c1ccco1
InChIInChI=1S/C10H12ClN5O/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyJKXBQRMTOXQVMW-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.18
Rot. Bonds4

About 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine

5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine (PubChem CID 80907426) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
PubChem CID80907426
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine
SMILESCC(Nc1nc(NN)ncc1Cl)c1ccco1
InChIInChI=1S/C10H12ClN5O/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16)
InChIKeyJKXBQRMTOXQVMW-UHFFFAOYSA-N
XLogP2.18
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.18
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 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine (CID 80907426) is 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine is CC(Nc1nc(NN)ncc1Cl)c1ccco1.
What is the InChIKey of 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
The InChIKey is JKXBQRMTOXQVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6(8-3-2-4-17-8)14-9-7(11)5-13-10(15-9)16-12/h2-6H,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine has a molecular weight of 253.69 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(furan-2-yl)ethyl]-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80907426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).