N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

C12H20FN5 — CID 80915739

IUPACN-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCC1CCCC(Nc2nc(NN)ncc2F)C1
InChIInChI=1S/C12H20FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeySCLKRTNCPAWSLW-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.28
Rot. Bonds4

About N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine

N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (PubChem CID 80915739) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
PubChem CID80915739
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC NameN-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
SMILESCCC1CCCC(Nc2nc(NN)ncc2F)C1
InChIInChI=1S/C12H20FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18)
InChIKeySCLKRTNCPAWSLW-UHFFFAOYSA-N
XLogP2.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80931720
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine
CID 88544926
5-fluoro-4-N-(3-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80783067
1-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,3-diamine;hydrochloride
CID 175069422
N-(2,2-dimethylcyclopentyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80929537
2-ethyl-N-(3-ethylcyclohexyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007268
N-(3-ethylcyclohexyl)-6-fluoropyrimidin-4-amine
CID 115417081
5-fluoro-2-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4-diamine
CID 80808231
N'-cyclopentyl-N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 80914834
N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80915027

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine (CID 80915739) is N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is CCC1CCCC(Nc2nc(NN)ncc2F)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
The InChIKey is SCLKRTNCPAWSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c1-2-8-4-3-5-9(6-8)16-11-10(13)7-15-12(17-11)18-14/h7-9H,2-6,14H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine?
N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine has a molecular weight of 253.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80915739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).