1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide

C11H15FN4O2 — CID 131947431

IUPAC1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C11H15FN4O2/c1-13-9(17)7-3-4-16(6-7)11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyPGHMEGZOAWEWGQ-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.20
Rot. Bonds3

About 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide

1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 131947431) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
PubChem CID131947431
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(F)c(OC)n2)C1
InChIInChI=1S/C11H15FN4O2/c1-13-9(17)7-3-4-16(6-7)11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17)
InChIKeyPGHMEGZOAWEWGQ-UHFFFAOYSA-N
XLogP0.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
(3S)-1-(4-ethoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129614772
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793
(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129624197
(4R)-4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]-1-methylpyrrolidin-2-one
CID 129624523
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 164631265
5-fluoro-4-methoxy-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methylpyrimidin-2-amine
CID 164633283
(2S)-3-[(4-methoxypyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 164637724
(3S)-1-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]piperidine-3-carboxamide
CID 171359925
5-fluoro-4-methoxy-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 148939449
tert-butyl (3R)-3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 150309429
tert-butyl (3S)-3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 156310824

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide (CID 131947431) is 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2ncc(F)c(OC)n2)C1.
What is the InChIKey of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is PGHMEGZOAWEWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-13-9(17)7-3-4-16(6-7)11-14-5-8(12)10(15-11)18-2/h5,7H,3-4,6H2,1-2H3,(H,13,17).
What are the key properties of 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 131947431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).