5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C8H11ClF3N5 — CID 80901823

IUPAC5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(NN)ncc1Cl
InChIInChI=1S/C8H11ClF3N5/c1-2-17(4-8(10,11)12)6-5(9)3-14-7(15-6)16-13/h3H,2,4,13H2,1H3,(H,14,15,16)
InChIKeyOSXDHFVSJOMQBG-UHFFFAOYSA-N
MW269.66 g/mol
LogP1.80
Rot. Bonds4

About 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 80901823) has the molecular formula C8H11ClF3N5 and a molecular weight of 269.66 g/mol. Its IUPAC name is 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID80901823
Molecular FormulaC8H11ClF3N5
Molecular Weight269.66 g/mol
Exact Mass269.07
IUPAC Name5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCN(CC(F)(F)F)c1nc(NN)ncc1Cl
InChIInChI=1S/C8H11ClF3N5/c1-2-17(4-8(10,11)12)6-5(9)3-14-7(15-6)16-13/h3H,2,4,13H2,1H3,(H,14,15,16)
InChIKeyOSXDHFVSJOMQBG-UHFFFAOYSA-N
XLogP1.80
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 51.80
H-Bond Donors ≤ 52
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

5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
4-N-ethyl-2-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815496
5-chloro-4-N-ethyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80774761
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62281431
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80904213
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
5-chloro-N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80896298
N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80905477
5-chloro-2-hydrazinyl-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 80913814
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80808649
2,5-dichloro-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 79632286

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 80901823) is 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCN(CC(F)(F)F)c1nc(NN)ncc1Cl.
What is the InChIKey of 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is OSXDHFVSJOMQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N5/c1-2-17(4-8(10,11)12)6-5(9)3-14-7(15-6)16-13/h3H,2,4,13H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 269.66 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-2-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 80901823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).