4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine

C13H16F3N7 — CID 166492532

IUPAC4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3cnn(CC(F)(F)F)c3)nc(N)n2)C1
InChIInChI=1S/C13H16F3N7/c1-18-9-5-22(6-9)11-2-10(20-12(17)21-11)8-3-19-23(4-8)7-13(14,15)16/h2-4,9,18H,5-7H2,1H3,(H2,17,20,21)
InChIKeyYHYXEBDRAQDPBM-UHFFFAOYSA-N
MW327.31 g/mol
LogP0.89
Rot. Bonds4

About 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine

4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 166492532) has the molecular formula C13H16F3N7 and a molecular weight of 327.31 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID166492532
Molecular FormulaC13H16F3N7
Molecular Weight327.31 g/mol
Exact Mass327.14
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(-c3cnn(CC(F)(F)F)c3)nc(N)n2)C1
InChIInChI=1S/C13H16F3N7/c1-18-9-5-22(6-9)11-2-10(20-12(17)21-11)8-3-19-23(4-8)7-13(14,15)16/h2-4,9,18H,5-7H2,1H3,(H2,17,20,21)
InChIKeyYHYXEBDRAQDPBM-UHFFFAOYSA-N
XLogP0.89
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-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-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 159912281
4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 11471669
4-[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]benzonitrile
CID 11437448
4-(3-bromo-1-methylpyrazol-4-yl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 166492499
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623810
4-[2-(difluoromethyl)-3-methyl-1H-pyrazol-2-ium-4-yl]-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 168770975
4-[3-(methylamino)pyrrolidin-1-yl]-6-[1-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
CID 166793460
4-[3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740771
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 11280824
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 166492532) is 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine is CNC1CN(c2cc(-c3cnn(CC(F)(F)F)c3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is YHYXEBDRAQDPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N7/c1-18-9-5-22(6-9)11-2-10(20-12(17)21-11)8-3-19-23(4-8)7-13(14,15)16/h2-4,9,18H,5-7H2,1H3,(H2,17,20,21).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 166492532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).