5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine

C9H16ClN5O — CID 80913814

IUPAC5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCOCCCN(C)c1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5O/c1-15(4-3-5-16-2)8-7(10)6-12-9(13-8)14-11/h6H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyRMZUAPGKWSQFAY-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.89
Rot. Bonds6

About 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine

5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine (PubChem CID 80913814) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
PubChem CID80913814
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
SMILESCOCCCN(C)c1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5O/c1-15(4-3-5-16-2)8-7(10)6-12-9(13-8)14-11/h6H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyRMZUAPGKWSQFAY-UHFFFAOYSA-N
XLogP0.89
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine (CID 80913814) is 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine is COCCCN(C)c1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
The InChIKey is RMZUAPGKWSQFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-15(4-3-5-16-2)8-7(10)6-12-9(13-8)14-11/h6H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine?
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine has a molecular weight of 245.71 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80913814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).