[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine

C14H15F3N4 — CID 62915530

IUPAC[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)c(F)c(F)c2)nc(NN)c1C(C)C
InChIInChI=1S/C14H15F3N4/c1-6(2)11-7(3)19-13(20-14(11)21-18)8-4-9(15)12(17)10(16)5-8/h4-6H,18H2,1-3H3,(H,19,20,21)
InChIKeyIDUNRARJHAUULJ-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.28
Rot. Bonds3

About [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine

[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine (PubChem CID 62915530) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
PubChem CID62915530
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine
SMILESCc1nc(-c2cc(F)c(F)c(F)c2)nc(NN)c1C(C)C
InChIInChI=1S/C14H15F3N4/c1-6(2)11-7(3)19-13(20-14(11)21-18)8-4-9(15)12(17)10(16)5-8/h4-6H,18H2,1-3H3,(H,19,20,21)
InChIKeyIDUNRARJHAUULJ-UHFFFAOYSA-N
XLogP3.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', '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 [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine (CID 62915530) is [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine is Cc1nc(-c2cc(F)c(F)c(F)c2)nc(NN)c1C(C)C.
What is the InChIKey of [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine?
The InChIKey is IDUNRARJHAUULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-6(2)11-7(3)19-13(20-14(11)21-18)8-4-9(15)12(17)10(16)5-8/h4-6H,18H2,1-3H3,(H,19,20,21).
What are the key properties of [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine?
[6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine has a molecular weight of 296.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-propan-2-yl-2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).