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

C19H25FN4O — CID 110117213

IUPAC1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CN2CCCC2c2nccc(CN(C)C)n2)c(F)c1
InChIInChI=1S/C19H25FN4O/c1-23(2)13-15-8-9-21-19(22-15)18-5-4-10-24(18)12-14-6-7-16(25-3)11-17(14)20/h6-9,11,18H,4-5,10,12-13H2,1-3H3
InChIKeyKRFMMALJUZQGEV-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.02
Rot. Bonds6

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

1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 110117213) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
PubChem CID110117213
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(CN2CCCC2c2nccc(CN(C)C)n2)c(F)c1
InChIInChI=1S/C19H25FN4O/c1-23(2)13-15-8-9-21-19(22-15)18-5-4-10-24(18)12-14-6-7-16(25-3)11-17(14)20/h6-9,11,18H,4-5,10,12-13H2,1-3H3
InChIKeyKRFMMALJUZQGEV-UHFFFAOYSA-N
XLogP3.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117128
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107831
1-[2-[(2S)-1-(2H-chromen-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124967170
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 125013326
[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 124979411
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 102880149
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
1-[2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124941723
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 102877016
1-[5-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 70718750
1-[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 124974232
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine (CID 110117213) is 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is COc1ccc(CN2CCCC2c2nccc(CN(C)C)n2)c(F)c1.
What is the InChIKey of 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is KRFMMALJUZQGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-23(2)13-15-8-9-21-19(22-15)18-5-4-10-24(18)12-14-6-7-16(25-3)11-17(14)20/h6-9,11,18H,4-5,10,12-13H2,1-3H3.
What are the key properties of 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine?
1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 344.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 110117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).