[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine

C11H20F2N6 — CID 139320086

IUPAC[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine
SMILESNCC1C/C(=N\C2CCC(F)(F)CC2)NC(NN)=N1
InChIInChI=1S/C11H20F2N6/c12-11(13)3-1-7(2-4-11)16-9-5-8(6-14)17-10(18-9)19-15/h7-8H,1-6,14-15H2,(H2,16,17,18,19)
InChIKeyHRPVRIRWTFEDBI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.10
Rot. Bonds2

About [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine

[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine (PubChem CID 139320086) has the molecular formula C11H20F2N6 and a molecular weight of 274.32 g/mol. Its IUPAC name is [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine
PubChem CID139320086
Molecular FormulaC11H20F2N6
Molecular Weight274.32 g/mol
Exact Mass274.17
IUPAC Name[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine
SMILESNCC1C/C(=N\C2CCC(F)(F)CC2)NC(NN)=N1
InChIInChI=1S/C11H20F2N6/c12-11(13)3-1-7(2-4-11)16-9-5-8(6-14)17-10(18-9)19-15/h7-8H,1-6,14-15H2,(H2,16,17,18,19)
InChIKeyHRPVRIRWTFEDBI-UHFFFAOYSA-N
XLogP0.10
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine?
The IUPAC name of [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine (CID 139320086) is [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine.
What is the SMILES notation for [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine?
The canonical SMILES for [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine is NCC1C/C(=N\C2CCC(F)(F)CC2)NC(NN)=N1.
What is the InChIKey of [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine?
The InChIKey is HRPVRIRWTFEDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N6/c12-11(13)3-1-7(2-4-11)16-9-5-8(6-14)17-10(18-9)19-15/h7-8H,1-6,14-15H2,(H2,16,17,18,19).
What are the key properties of [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine?
[6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine has a molecular weight of 274.32 g/mol, XLogP of 0.10, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4-difluorocyclohexyl)imino-2-hydrazinyl-4,5-dihydro-1H-pyrimidin-4-yl]methanamine is sourced from PubChem (CID 139320086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).