5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

C24H28FN5 — CID 95834716

IUPAC5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n1
InChIInChI=1S/C24H28FN5/c1-17-9-19(10-18-5-4-6-22(25)11-18)12-23(28-17)21-7-8-30(16-21)15-20-13-26-24(27-14-20)29(2)3/h4-6,9,11-14,21H,7-8,10,15-16H2,1-3H3/t21-/m1/s1
InChIKeyHNFGVJWSKXISCV-OAQYLSRUSA-N
MW405.52 g/mol
LogP3.97
Rot. Bonds6

About 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine

5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 95834716) has the molecular formula C24H28FN5 and a molecular weight of 405.52 g/mol. Its IUPAC name is 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID95834716
Molecular FormulaC24H28FN5
Molecular Weight405.52 g/mol
Exact Mass405.23
IUPAC Name5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n1
InChIInChI=1S/C24H28FN5/c1-17-9-19(10-18-5-4-6-22(25)11-18)12-23(28-17)21-7-8-30(16-21)15-20-13-26-24(27-14-20)29(2)3/h4-6,9,11-14,21H,7-8,10,15-16H2,1-3H3/t21-/m1/s1
InChIKeyHNFGVJWSKXISCV-OAQYLSRUSA-N
XLogP3.97
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-fluorophenyl)methyl]-2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92617071
4-[4-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110263685
2-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 46955651
2-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92553458
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814426
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[(3S)-3-[6-methyl-4-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95814462
N,N-dimethyl-5-[[4-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 110245112
1-[(2S)-2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125007770
[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95814285
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110264862
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
[2-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 127251451

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine (CID 95834716) is 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3cnc(N(C)C)nc3)C2)n1.
What is the InChIKey of 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is HNFGVJWSKXISCV-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28FN5/c1-17-9-19(10-18-5-4-6-22(25)11-18)12-23(28-17)21-7-8-30(16-21)15-20-13-26-24(27-14-20)29(2)3/h4-6,9,11-14,21H,7-8,10,15-16H2,1-3H3/t21-/m1/s1.
What are the key properties of 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 405.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[4-[(3-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95834716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).