[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine

C13H14F2N4O2 — CID 19621434

IUPAC[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2cc(C(F)F)nc(NN)n2)cc1OC
InChIInChI=1S/C13H14F2N4O2/c1-20-10-4-3-7(5-11(10)21-2)8-6-9(12(14)15)18-13(17-8)19-16/h3-6,12H,16H2,1-2H3,(H,17,18,19)
InChIKeyTYRXLDPPUATSMA-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.38
Rot. Bonds5

About [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine

[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 19621434) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
PubChem CID19621434
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine
SMILESCOc1ccc(-c2cc(C(F)F)nc(NN)n2)cc1OC
InChIInChI=1S/C13H14F2N4O2/c1-20-10-4-3-7(5-11(10)21-2)8-6-9(12(14)15)18-13(17-8)19-16/h3-6,12H,16H2,1-2H3,(H,17,18,19)
InChIKeyTYRXLDPPUATSMA-UHFFFAOYSA-N
XLogP2.38
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.38
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 [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine (CID 19621434) is [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine is COc1ccc(-c2cc(C(F)F)nc(NN)n2)cc1OC.
What is the InChIKey of [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is TYRXLDPPUATSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-20-10-4-3-7(5-11(10)21-2)8-6-9(12(14)15)18-13(17-8)19-16/h3-6,12H,16H2,1-2H3,(H,17,18,19).
What are the key properties of [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine?
[4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 296.28 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 19621434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).