[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

C13H17F2N3O2 — CID 154770666

IUPAC[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C13H17F2N3O2/c1-8(2)20-9-3-4-18(6-9)13(19)11-5-10(12(14)15)16-7-17-11/h5,7-9,12H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyDNEHPQUASIZLRI-SECBINFHSA-N
MW285.29 g/mol
LogP2.05
Rot. Bonds4

About [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone

[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 154770666) has the molecular formula C13H17F2N3O2 and a molecular weight of 285.29 g/mol. Its IUPAC name is [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
PubChem CID154770666
Molecular FormulaC13H17F2N3O2
Molecular Weight285.29 g/mol
Exact Mass285.13
IUPAC Name[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
SMILESCC(C)O[C@@H]1CCN(C(=O)c2cc(C(F)F)ncn2)C1
InChIInChI=1S/C13H17F2N3O2/c1-8(2)20-9-3-4-18(6-9)13(19)11-5-10(12(14)15)16-7-17-11/h5,7-9,12H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyDNEHPQUASIZLRI-SECBINFHSA-N
XLogP2.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031
2-methyl-1-(3-propan-2-yloxypyrrolidin-1-yl)propan-1-one
CID 140629108
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 121261823
2-[3-(2-methylpropoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122056069
2-[3-(3-methylbutoxy)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055980
(5-aminopyrazin-2-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 121261843
oxetan-3-yl-[(3S)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 121261750
(3S)-3-(difluoromethoxy)-N-[6-(methoxymethyl)pyrimidin-4-yl]pyrrolidine-1-carboxamide
CID 154756060
(2,3-dimethylquinoxalin-6-yl)-(3-propan-2-yloxypiperidin-1-yl)methanone
CID 136549756
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255135
3-propan-2-yloxy-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 126752760
[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 138026852

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone (CID 154770666) is [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is CC(C)O[C@@H]1CCN(C(=O)c2cc(C(F)F)ncn2)C1.
What is the InChIKey of [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is DNEHPQUASIZLRI-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F2N3O2/c1-8(2)20-9-3-4-18(6-9)13(19)11-5-10(12(14)15)16-7-17-11/h5,7-9,12H,3-4,6H2,1-2H3/t9-/m1/s1.
What are the key properties of [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone?
[6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 285.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)pyrimidin-4-yl]-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 154770666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).