[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C15H21FN4O2 — CID 120929180

IUPAC[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O2/c1-10-7-11(2)18-15(17-10)20-9-12(16)8-13(20)14(21)19-3-5-22-6-4-19/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyQAJVXNHUQQZTGS-OLZOCXBDSA-N
MW308.36 g/mol
LogP0.87
Rot. Bonds2

About [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929180) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929180
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C15H21FN4O2/c1-10-7-11(2)18-15(17-10)20-9-12(16)8-13(20)14(21)19-3-5-22-6-4-19/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKeyQAJVXNHUQQZTGS-OLZOCXBDSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929244
[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929256
[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929174
[(2S,4R)-4-fluoro-1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929112
[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929111
[(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120949392
[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929245
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
[(2R,4R)-1-(2-ethylphenyl)sulfonyl-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110876197
(2S,4R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)-4-fluoropyrrolidine-2-carboxamide
CID 120928900
(2S,4S)-N-(3-ethylphenyl)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxamide
CID 110876045

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929180) is [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1cc(C)nc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1.
What is the InChIKey of [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QAJVXNHUQQZTGS-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21FN4O2/c1-10-7-11(2)18-15(17-10)20-9-12(16)8-13(20)14(21)19-3-5-22-6-4-19/h7,12-13H,3-6,8-9H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 308.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).