6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

C12H15N5O — CID 80908091

IUPAC6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2cc(NN)ncn2)c1
InChIInChI=1S/C12H15N5O/c1-17(9-4-3-5-10(6-9)18-2)12-7-11(16-13)14-8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16)
InChIKeyUISCZIRQOPTEFZ-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.54
Rot. Bonds4

About 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine

6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (PubChem CID 80908091) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
PubChem CID80908091
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2cc(NN)ncn2)c1
InChIInChI=1S/C12H15N5O/c1-17(9-4-3-5-10(6-9)18-2)12-7-11(16-13)14-8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16)
InChIKeyUISCZIRQOPTEFZ-UHFFFAOYSA-N
XLogP1.54
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
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 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine (CID 80908091) is 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is COc1cccc(N(C)c2cc(NN)ncn2)c1.
What is the InChIKey of 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is UISCZIRQOPTEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(9-4-3-5-10(6-9)18-2)12-7-11(16-13)14-8-15-12/h3-8H,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine?
6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 245.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80908091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).