N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5 — CID 107403230

IUPACN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC1CCC1)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-2-20(7-8-4-3-5-8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyXYAUFNANOBNRCZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.41
Rot. Bonds5

About N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine

N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 107403230) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID107403230
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC1CCC1)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-2-20(7-8-4-3-5-8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyXYAUFNANOBNRCZ-UHFFFAOYSA-N
XLogP2.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.41
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'}

Analyze N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775417
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
4-N-(cyclobutylmethyl)-4-N,6-N-dimethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771813
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
3-[cyclobutyl-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 106776229
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
N-(cyclopentylmethyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775333
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770982
[6-(3-ethylcyclohexyl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776447
2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 107403230) is N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCN(CC1CCC1)c1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XYAUFNANOBNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-2-20(7-8-4-3-5-8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,2-5,7,16H2,1H3,(H,17,18,19).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 107403230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).