N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C22H20F3N7 — CID 118092944

IUPACN-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCc3cnn(C)c3)nc2)c1
InChIInChI=1S/C22H20F3N7/c1-14-7-17(9-18(8-14)30-21-26-6-5-19(31-21)22(23,24)25)16-3-4-20(28-12-16)27-10-15-11-29-32(2)13-15/h3-9,11-13H,10H2,1-2H3,(H,27,28)(H,26,30,31)
InChIKeyYJOBWQFYZHXGDQ-UHFFFAOYSA-N
MW439.45 g/mol
LogP4.96
Rot. Bonds6

About N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 118092944) has the molecular formula C22H20F3N7 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID118092944
Molecular FormulaC22H20F3N7
Molecular Weight439.45 g/mol
Exact Mass439.17
IUPAC NameN-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCc3cnn(C)c3)nc2)c1
InChIInChI=1S/C22H20F3N7/c1-14-7-17(9-18(8-14)30-21-26-6-5-19(31-21)22(23,24)25)16-3-4-20(28-12-16)27-10-15-11-29-32(2)13-15/h3-9,11-13H,10H2,1-2H3,(H,27,28)(H,26,30,31)
InChIKeyYJOBWQFYZHXGDQ-UHFFFAOYSA-N
XLogP4.96
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

N-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 118208929
2-methyl-1-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propan-2-ol
CID 118092767
5-[[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]methyl]pyrrolidin-2-one
CID 118092712
4,4,4-trifluoro-2-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]butanoic acid
CID 118093086
1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]ethanol
CID 118093033
(2S)-3-hydroxy-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]butanoic acid
CID 135221211
(2S)-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]propanoic acid
CID 72705402
(2R)-3-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pentanoic acid
CID 118092681
N-[3-(2-aminopyrimidin-5-yl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72709972
N-[3-(6-ethynyl-3-pyridinyl)-5-methylphenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 131735920
4-methyl-2-[[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pentanoic acid
CID 121426695
1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]azetidin-3-ol
CID 118092822

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 118092944) is N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(NCc3cnn(C)c3)nc2)c1.
What is the InChIKey of N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YJOBWQFYZHXGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7/c1-14-7-17(9-18(8-14)30-21-26-6-5-19(31-21)22(23,24)25)16-3-4-20(28-12-16)27-10-15-11-29-32(2)13-15/h3-9,11-13H,10H2,1-2H3,(H,27,28)(H,26,30,31).
What are the key properties of N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 439.45 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-[6-[(1-methylpyrazol-4-yl)methylamino]-3-pyridinyl]phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 118092944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).