[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone

C19H23FN4O — CID 97120165

IUPAC[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C19H23FN4O/c1-2-21-19-22-12-15(13-23-19)18(25)24-10-5-3-4-9-17(24)14-7-6-8-16(20)11-14/h6-8,11-13,17H,2-5,9-10H2,1H3,(H,21,22,23)/t17-/m1/s1
InChIKeyMUTVVACLQSFJPR-QGZVFWFLSA-N
MW342.42 g/mol
LogP3.81
Rot. Bonds4

About [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone

[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone (PubChem CID 97120165) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
PubChem CID97120165
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone
SMILESCCNc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1
InChIInChI=1S/C19H23FN4O/c1-2-21-19-22-12-15(13-23-19)18(25)24-10-5-3-4-9-17(24)14-7-6-8-16(20)11-14/h6-8,11-13,17H,2-5,9-10H2,1H3,(H,21,22,23)/t17-/m1/s1
InChIKeyMUTVVACLQSFJPR-QGZVFWFLSA-N
XLogP3.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[2-(3-fluorophenyl)piperidin-1-yl]-(5-propyl-1H-pyrazol-4-yl)methanone
CID 70761274
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[(2R)-2-(3-fluorophenyl)piperidin-1-yl]-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 96572952
3-[2-(3-fluorophenyl)azepane-1-carbonyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyridin-2-one
CID 172672855
[2-(3-fluorophenyl)azepan-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 91839043
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
(1-ethylpyrazol-3-yl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747092
[2-(3-fluorophenyl)azepan-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
CID 91838120
(2-chloro-6-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747030
(2S)-2-(3-fluorophenyl)-N-propylpyrrolidine-1-carboxamide
CID 95053549

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone (CID 97120165) is [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone is CCNc1ncc(C(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone?
The InChIKey is MUTVVACLQSFJPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-2-21-19-22-12-15(13-23-19)18(25)24-10-5-3-4-9-17(24)14-7-6-8-16(20)11-14/h6-8,11-13,17H,2-5,9-10H2,1H3,(H,21,22,23)/t17-/m1/s1.
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone?
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-(3-fluorophenyl)azepan-1-yl]methanone is sourced from PubChem (CID 97120165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).