N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine

C11H14F3N3 — CID 107588030

IUPACN-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
SMILESFC(F)(F)C1CCCC(Nc2cncnc2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-3-9(4-8)17-10-5-15-7-16-6-10/h5-9,17H,1-4H2
InChIKeyKYQWOUDXQAPDKW-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.01
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine

N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine (PubChem CID 107588030) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
PubChem CID107588030
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
SMILESFC(F)(F)C1CCCC(Nc2cncnc2)C1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-3-9(4-8)17-10-5-15-7-16-6-10/h5-9,17H,1-4H2
InChIKeyKYQWOUDXQAPDKW-UHFFFAOYSA-N
XLogP3.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-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-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
5-nitro-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 133468041
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 64757163
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
CID 64756991
4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 75414193
N-(4-propylcycloheptyl)pyrimidin-5-amine
CID 107588235
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
3-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazol-5-amine
CID 133333839
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine (CID 107588030) is N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine is FC(F)(F)C1CCCC(Nc2cncnc2)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine?
The InChIKey is KYQWOUDXQAPDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-2-1-3-9(4-8)17-10-5-15-7-16-6-10/h5-9,17H,1-4H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine?
N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine has a molecular weight of 245.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine is sourced from PubChem (CID 107588030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).