2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide

C20H24FN5O2 — CID 172904343

IUPAC2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCc1ncnc(N2CC3CC(C2)N3CC(=O)Nc2ccccc2OC)c1F
InChIInChI=1S/C20H24FN5O2/c1-3-15-19(21)20(23-12-22-15)25-9-13-8-14(10-25)26(13)11-18(27)24-16-6-4-5-7-17(16)28-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyFLEMEQQBNONPLK-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.09
Rot. Bonds6

About 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide

2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 172904343) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID172904343
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide
SMILESCCc1ncnc(N2CC3CC(C2)N3CC(=O)Nc2ccccc2OC)c1F
InChIInChI=1S/C20H24FN5O2/c1-3-15-19(21)20(23-12-22-15)25-9-13-8-14(10-25)26(13)11-18(27)24-16-6-4-5-7-17(16)28-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,27)
InChIKeyFLEMEQQBNONPLK-UHFFFAOYSA-N
XLogP2.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-(2,6-dimethylphenyl)-2-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133416210
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
N-(2-methoxyphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196730
methyl 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidine-3-carboxylate
CID 103880059
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide
CID 171998883
N-(2-methoxyphenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922615

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide (CID 172904343) is 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide is CCc1ncnc(N2CC3CC(C2)N3CC(=O)Nc2ccccc2OC)c1F.
What is the InChIKey of 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is FLEMEQQBNONPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-3-15-19(21)20(23-12-22-15)25-9-13-8-14(10-25)26(13)11-18(27)24-16-6-4-5-7-17(16)28-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,24,27).
What are the key properties of 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 385.44 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-ethyl-5-fluoropyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 172904343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).