N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5 — CID 134080376

IUPACN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1NNC(C)C1CCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-7-9(8(2)20-19-7)3-5-16-10-4-6-17-11(18-10)12(13,14)15/h4,6-9,19-20H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyYMQSNZPOCVVCNJ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.80
Rot. Bonds4

About N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 134080376) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID134080376
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC1NNC(C)C1CCNc1ccnc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c1-7-9(8(2)20-19-7)3-5-16-10-4-6-17-11(18-10)12(13,14)15/h4,6-9,19-20H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyYMQSNZPOCVVCNJ-UHFFFAOYSA-N
XLogP1.80
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-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

N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72918277
[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 97144581
N'-ethyl-N'-(3-methylphenyl)-N-[2-(trifluoromethyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 72884771
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
N-[2,2-difluoro-2-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine;hydrochloride
CID 118378258
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330850
2-tert-butyl-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 133345400
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 75424390
(Z)-3-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]but-2-enimidoyl bromide
CID 144677566
N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide
CID 164645422

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 134080376) is N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is CC1NNC(C)C1CCNc1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YMQSNZPOCVVCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-7-9(8(2)20-19-7)3-5-16-10-4-6-17-11(18-10)12(13,14)15/h4,6-9,19-20H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 134080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).