[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C13H20F2N4 — CID 114216456

IUPAC[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CCC(F)(F)C2)nc(NN)c1C(C)C
InChIInChI=1S/C13H20F2N4/c1-7(2)10-8(3)17-11(18-12(10)19-16)9-4-5-13(14,15)6-9/h7,9H,4-6,16H2,1-3H3,(H,17,18,19)
InChIKeyBECDSWLKYANCPV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.10
Rot. Bonds3

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

[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 114216456) has the molecular formula C13H20F2N4 and a molecular weight of 270.33 g/mol. Its IUPAC name is [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID114216456
Molecular FormulaC13H20F2N4
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(C2CCC(F)(F)C2)nc(NN)c1C(C)C
InChIInChI=1S/C13H20F2N4/c1-7(2)10-8(3)17-11(18-12(10)19-16)9-4-5-13(14,15)6-9/h7,9H,4-6,16H2,1-3H3,(H,17,18,19)
InChIKeyBECDSWLKYANCPV-UHFFFAOYSA-N
XLogP3.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 114216456) is [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1nc(C2CCC(F)(F)C2)nc(NN)c1C(C)C.
What is the InChIKey of [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is BECDSWLKYANCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4/c1-7(2)10-8(3)17-11(18-12(10)19-16)9-4-5-13(14,15)6-9/h7,9H,4-6,16H2,1-3H3,(H,17,18,19).
What are the key properties of [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 270.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclopentyl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 114216456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).