N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

C21H15F3N6 — CID 133315898

IUPACN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccnc(-c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc2)n1
InChIInChI=1S/C21H15F3N6/c1-13-9-11-26-19(27-13)14-5-7-15(8-6-14)28-18-12-17(21(22,23)24)29-20(30-18)16-4-2-3-10-25-16/h2-12H,1H3,(H,28,29,30)
InChIKeyDZIFJRNUVGZSGZ-UHFFFAOYSA-N
MW408.39 g/mol
LogP5.07
Rot. Bonds4

About N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133315898) has the molecular formula C21H15F3N6 and a molecular weight of 408.39 g/mol. Its IUPAC name is N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133315898
Molecular FormulaC21H15F3N6
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC NameN-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1ccnc(-c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc2)n1
InChIInChI=1S/C21H15F3N6/c1-13-9-11-26-19(27-13)14-5-7-15(8-6-14)28-18-12-17(21(22,23)24)29-20(30-18)16-4-2-3-10-25-16/h2-12H,1H3,(H,28,29,30)
InChIKeyDZIFJRNUVGZSGZ-UHFFFAOYSA-N
XLogP5.07
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(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-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
5-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1H-indazole-3-carboxamide
CID 146123273
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133378121
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 134115580
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133444857
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
N-(4-phenoxyphenyl)-2-phenyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3321417
N-(6-methyl-2-phenylpyrimidin-4-yl)quinolin-6-amine
CID 162654149
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133315898) is N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is Cc1ccnc(-c2ccc(Nc3cc(C(F)(F)F)nc(-c4ccccn4)n3)cc2)n1.
What is the InChIKey of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is DZIFJRNUVGZSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6/c1-13-9-11-26-19(27-13)14-5-7-15(8-6-14)28-18-12-17(21(22,23)24)29-20(30-18)16-4-2-3-10-25-16/h2-12H,1H3,(H,28,29,30).
What are the key properties of N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 408.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpyrimidin-2-yl)phenyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133315898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).