[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine

C12H17F3N4O — CID 82793815

IUPAC[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1OCCCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7-9(19-16)17-10(8-3-4-8)18-11(7)20-6-2-5-12(13,14)15/h8H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyPFDUAMHTWLWSQN-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.67
Rot. Bonds6

About [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine

[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (PubChem CID 82793815) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
PubChem CID82793815
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)nc(C2CC2)nc1OCCCC(F)(F)F
InChIInChI=1S/C12H17F3N4O/c1-7-9(19-16)17-10(8-3-4-8)18-11(7)20-6-2-5-12(13,14)15/h8H,2-6,16H2,1H3,(H,17,18,19)
InChIKeyPFDUAMHTWLWSQN-UHFFFAOYSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (CID 82793815) is [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is Cc1c(NN)nc(C2CC2)nc1OCCCC(F)(F)F.
What is the InChIKey of [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is PFDUAMHTWLWSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-9(19-16)17-10(8-3-4-8)18-11(7)20-6-2-5-12(13,14)15/h8H,2-6,16H2,1H3,(H,17,18,19).
What are the key properties of [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
[2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 290.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82793815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).