4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

C9H9F3N6 — CID 151294893

IUPAC4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N6/c1-14-7-6(3-15-8(13)17-7)5-2-16-18(4-5)9(10,11)12/h2-4H,1H3,(H3,13,14,15,17)
InChIKeyOBEWFHQZWGNLFY-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.44
Rot. Bonds2

About 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine

4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (PubChem CID 151294893) has the molecular formula C9H9F3N6 and a molecular weight of 258.21 g/mol. Its IUPAC name is 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
PubChem CID151294893
Molecular FormulaC9H9F3N6
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine
SMILESCNc1nc(N)ncc1-c1cnn(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N6/c1-14-7-6(3-15-8(13)17-7)5-2-16-18(4-5)9(10,11)12/h2-4H,1H3,(H3,13,14,15,17)
InChIKeyOBEWFHQZWGNLFY-UHFFFAOYSA-N
XLogP1.44
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine 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

5-ethyl-4-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72885337
5-ethyl-N~4~-methyl-N~4~-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 72899234
N~4~-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-5-ethylpyrimidine-2,4-diamine
CID 72904629
2-chloro-N-cyclohexyl-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 142748480
5-(1H-pyrazol-4-yl)pyrimidin-2-amine dihydrochloride
CID 165648975
5-(1-Methylpyrazol-4-yl)pyrimidine
CID 58297062
5-ethyl-N-[(1-propyl-1H-pyrazol-4-yl)methyl]pyrimidin-2-amine
CID 72897270
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyrimidin-2-amine
CID 103858283
6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 68949401
6-Fluoro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71200425
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
2,2-Difluoropropane;2-methyl-5-(1-methylpyrazol-4-yl)pyrimidine
CID 143813096

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine (CID 151294893) is 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is CNc1nc(N)ncc1-c1cnn(C(F)(F)F)c1.
What is the InChIKey of 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
The InChIKey is OBEWFHQZWGNLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6/c1-14-7-6(3-15-8(13)17-7)5-2-16-18(4-5)9(10,11)12/h2-4H,1H3,(H3,13,14,15,17).
What are the key properties of 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine?
4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine has a molecular weight of 258.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-5-[1-(trifluoromethyl)pyrazol-4-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 151294893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).