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

C14H20FN5O2 — CID 50962192

IUPAC1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C14H20FN5O2/c1-16-13(21)10-2-3-20(9-10)14-17-8-11(15)12(18-14)19-4-6-22-7-5-19/h8,10H,2-7,9H2,1H3,(H,16,21)
InChIKeyICOZXOWQRCJTTD-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.02
Rot. Bonds3

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

1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 50962192) has the molecular formula C14H20FN5O2 and a molecular weight of 309.35 g/mol. Its IUPAC name is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
PubChem CID50962192
Molecular FormulaC14H20FN5O2
Molecular Weight309.35 g/mol
Exact Mass309.16
IUPAC Name1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)C1
InChIInChI=1S/C14H20FN5O2/c1-16-13(21)10-2-3-20(9-10)14-17-8-11(15)12(18-14)19-4-6-22-7-5-19/h8,10H,2-7,9H2,1H3,(H,16,21)
InChIKeyICOZXOWQRCJTTD-UHFFFAOYSA-N
XLogP0.02
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
(3S,4R)-4-cyclopropyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 133129772
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
(3aR,7aR)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336353
N-(5-fluoro-2-morpholin-4-ylpyrimidin-4-yl)oxolane-3-carboxamide
CID 155915789
(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 95548875
(3R)-3-ethyl-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97120952
(3S,8aS)-2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344177
5-fluoro-N-iodo-4-morpholin-4-ylpyrimidine-2-carboxamide
CID 130197461
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide (CID 50962192) is 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2ncc(F)c(N3CCOCC3)n2)C1.
What is the InChIKey of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is ICOZXOWQRCJTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O2/c1-16-13(21)10-2-3-20(9-10)14-17-8-11(15)12(18-14)19-4-6-22-7-5-19/h8,10H,2-7,9H2,1H3,(H,16,21).
What are the key properties of 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide?
1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 50962192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).