N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

C25H28F3N5O2 — CID 154859329

IUPACN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(NCC2CC(C)N(Cc3ccccc3)C2)cc(-c2ccccn2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5.C2HF3O2/c1-17-12-20(16-28(17)15-19-8-4-3-5-9-19)14-25-23-13-22(26-18(2)27-23)21-10-6-7-11-24-21;3-2(4,5)1(6)7/h3-11,13,17,20H,12,14-16H2,1-2H3,(H,25,26,27);(H,6,7)
InChIKeyGNAYRVNYAIUMAY-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.80
Rot. Bonds6

About N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 154859329) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID154859329
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC NameN-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(NCC2CC(C)N(Cc3ccccc3)C2)cc(-c2ccccn2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H27N5.C2HF3O2/c1-17-12-20(16-28(17)15-19-8-4-3-5-9-19)14-25-23-13-22(26-18(2)27-23)21-10-6-7-11-24-21;3-2(4,5)1(6)7/h3-11,13,17,20H,12,14-16H2,1-2H3,(H,25,26,27);(H,6,7)
InChIKeyGNAYRVNYAIUMAY-UHFFFAOYSA-N
XLogP4.80
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

methyl 2-[3-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetate;2,2,2-trifluoroacetic acid
CID 167811198
1-methyl-4-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 154865732
trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 154869671
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2,2,2-trifluoroacetamide
CID 130914121
N-[(5-cyclopropyloxolan-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154867733
(2R,4S)-1-benzyl-2-methyl-4-[(sulfamoylamino)methyl]pyrrolidine
CID 124569518
6-ethyl-2-pyridin-2-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302262
2-methyl-N-[[1-(oxan-4-yl)azetidin-2-yl]methyl]-6-pyridin-2-ylpyrimidin-4-amine
CID 154867730
4-[(3-pyridin-2-yl-1,2,4-triazol-1-yl)methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 167984111
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-fluoropyridin-2-amine
CID 131008130
N-[2-(1-benzyl-5-methylpyrrolidin-3-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971823

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 154859329) is N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is Cc1nc(NCC2CC(C)N(Cc3ccccc3)C2)cc(-c2ccccn2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GNAYRVNYAIUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5.C2HF3O2/c1-17-12-20(16-28(17)15-19-8-4-3-5-9-19)14-25-23-13-22(26-18(2)27-23)21-10-6-7-11-24-21;3-2(4,5)1(6)7/h3-11,13,17,20H,12,14-16H2,1-2H3,(H,25,26,27);(H,6,7).
What are the key properties of N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 487.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154859329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).