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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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).