5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

C11H8F4N4 — CID 102709103

IUPAC5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19)
InChIKeyCOCABHVMVRZRTQ-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.74
Rot. Bonds2

About 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine

5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 102709103) has the molecular formula C11H8F4N4 and a molecular weight of 272.21 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID102709103
Molecular FormulaC11H8F4N4
Molecular Weight272.21 g/mol
Exact Mass272.07
IUPAC Name5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19)
InChIKeyCOCABHVMVRZRTQ-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]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

5-fluoro-4-isoquinolin-8-yl-N-methylpyrimidin-2-amine
CID 103144237
N-methyl-5-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709064
N-methyl-4-(trifluoromethyl)pyridin-3-amine
CID 67229905
5-fluoro-N-methyl-4-[2-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 80862637
N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709116
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
CID 102708661
5-methyl-N-propyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709055
5-fluoro-4-imidazo[1,2-a]pyridin-5-yl-N-methylpyrimidin-2-amine
CID 102627276
4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
CID 113324753
5-fluoro-4-N-(2-fluorophenyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80817456

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine (CID 102709103) is 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is CNc1ncc(F)c(-c2cnccc2C(F)(F)F)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is COCABHVMVRZRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4/c1-16-10-18-5-8(12)9(19-10)6-4-17-3-2-7(6)11(13,14)15/h2-5H,1H3,(H,16,18,19).
What are the key properties of 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine?
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 272.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 102709103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).