5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine

C12H14ClN5O2 — CID 80919912

IUPAC5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2Cl)cc(OC)c1
InChIInChI=1S/C12H14ClN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-11-10(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVHWGMQWOMSNCGU-UHFFFAOYSA-N
MW295.73 g/mol
LogP2.18
Rot. Bonds5

About 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine

5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine (PubChem CID 80919912) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
PubChem CID80919912
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
SMILESCOc1cc(Nc2nc(NN)ncc2Cl)cc(OC)c1
InChIInChI=1S/C12H14ClN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-11-10(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVHWGMQWOMSNCGU-UHFFFAOYSA-N
XLogP2.18
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine (CID 80919912) is 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine is COc1cc(Nc2nc(NN)ncc2Cl)cc(OC)c1.
What is the InChIKey of 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
The InChIKey is VHWGMQWOMSNCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-19-8-3-7(4-9(5-8)20-2)16-11-10(13)6-15-12(17-11)18-14/h3-6H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine?
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine has a molecular weight of 295.73 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80919912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).