1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine

C20H27FN4O — CID 110116819

IUPAC1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(F)c1CN1CCCC1c1nc(C)ncc1CN(C)C
InChIInChI=1S/C20H27FN4O/c1-14-22-11-15(12-24(2)3)20(23-14)18-8-6-10-25(18)13-16-17(21)7-5-9-19(16)26-4/h5,7,9,11,18H,6,8,10,12-13H2,1-4H3
InChIKeyRTDJQJJFPYOHIP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.33
Rot. Bonds6

About 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine

1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine (PubChem CID 110116819) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
PubChem CID110116819
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(F)c1CN1CCCC1c1nc(C)ncc1CN(C)C
InChIInChI=1S/C20H27FN4O/c1-14-22-11-15(12-24(2)3)20(23-14)18-8-6-10-25(18)13-16-17(21)7-5-9-19(16)26-4/h5,7,9,11,18H,6,8,10,12-13H2,1-4H3
InChIKeyRTDJQJJFPYOHIP-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785
N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 124969108
N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116781
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910
1-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110116795
1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117213
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine (CID 110116819) is 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine is COc1cccc(F)c1CN1CCCC1c1nc(C)ncc1CN(C)C.
What is the InChIKey of 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The InChIKey is RTDJQJJFPYOHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14-22-11-15(12-24(2)3)20(23-14)18-8-6-10-25(18)13-16-17(21)7-5-9-19(16)26-4/h5,7,9,11,18H,6,8,10,12-13H2,1-4H3.
What are the key properties of 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine has a molecular weight of 358.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(2-fluoro-6-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 110116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).