[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

C16H15F2N3O2 — CID 138023713

IUPAC[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC2c2ccc(F)cc2F)ncn1
InChIInChI=1S/C16H15F2N3O2/c1-23-15-8-13(19-9-20-15)16(22)21-6-2-3-14(21)11-5-4-10(17)7-12(11)18/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyVAHWPSAOSKSSCI-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.74
Rot. Bonds3

About [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone

[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 138023713) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
PubChem CID138023713
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCC2c2ccc(F)cc2F)ncn1
InChIInChI=1S/C16H15F2N3O2/c1-23-15-8-13(19-9-20-15)16(22)21-6-2-3-14(21)11-5-4-10(17)7-12(11)18/h4-5,7-9,14H,2-3,6H2,1H3
InChIKeyVAHWPSAOSKSSCI-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
6-[2-(2,5-difluorophenyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 166330239
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413
[2-(4-fluorophenyl)piperidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70732659
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
6-methoxypyrimidine-4-carboxylic acid
CID 3300297
[2-(2,4-difluorophenyl)piperidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 158337331
[(2S)-2-(2,3-dimethylphenyl)piperidin-1-yl]-(6-methylpyrimidin-4-yl)methanone
CID 97326313
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70776944
3-[2-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methylpyran-4-one
CID 138023714
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone (CID 138023713) is [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CCCC2c2ccc(F)cc2F)ncn1.
What is the InChIKey of [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is VAHWPSAOSKSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-23-15-8-13(19-9-20-15)16(22)21-6-2-3-14(21)11-5-4-10(17)7-12(11)18/h4-5,7-9,14H,2-3,6H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone?
[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 319.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 138023713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).