[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone

C14H19FN4O — CID 165434880

IUPAC[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1ncnc(N2CC(C(=O)N3CCCC3)C2)c1F
InChIInChI=1S/C14H19FN4O/c1-2-11-12(15)13(17-9-16-11)19-7-10(8-19)14(20)18-5-3-4-6-18/h9-10H,2-8H2,1H3
InChIKeyAFHLTOONQYSNFD-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.24
Rot. Bonds3

About [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 165434880) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID165434880
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCCc1ncnc(N2CC(C(=O)N3CCCC3)C2)c1F
InChIInChI=1S/C14H19FN4O/c1-2-11-12(15)13(17-9-16-11)19-7-10(8-19)14(20)18-5-3-4-6-18/h9-10H,2-8H2,1H3
InChIKeyAFHLTOONQYSNFD-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434886
1-(6-ethyl-5-fluoropyrimidin-4-yl)-5-methylpiperidine-3-carboxylic acid
CID 122106845
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 84593441
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605983
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
CID 106832557
(3aS,5S,7aR)-2-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139014297
N-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357600
4-(4-cyclohexylpiperazin-1-yl)-6-ethyl-5-fluoropyrimidine
CID 133420970
1-(6-ethyl-5-fluoropyrimidin-4-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136571599
1-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]piperidin-2-one
CID 133420422
N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone (CID 165434880) is [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone is CCc1ncnc(N2CC(C(=O)N3CCCC3)C2)c1F.
What is the InChIKey of [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AFHLTOONQYSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-2-11-12(15)13(17-9-16-11)19-7-10(8-19)14(20)18-5-3-4-6-18/h9-10H,2-8H2,1H3.
What are the key properties of [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 278.33 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 165434880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).