N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

C17H21BrN4O2 — CID 163762683

IUPACN-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CN(C3=NCC(Br)=CN3)C2)cc1
InChIInChI=1S/C17H21BrN4O2/c1-11(21-12(2)23)13-3-5-15(6-4-13)24-16-9-22(10-16)17-19-7-14(18)8-20-17/h3-7,11,16H,8-10H2,1-2H3,(H,19,20)(H,21,23)/t11-/m0/s1
InChIKeyLZOIDKFWRJPXIJ-NSHDSACASA-N
MW393.29 g/mol
LogP2.14
Rot. Bonds4

About N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide

N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 163762683) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
PubChem CID163762683
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC NameN-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1ccc(OC2CN(C3=NCC(Br)=CN3)C2)cc1
InChIInChI=1S/C17H21BrN4O2/c1-11(21-12(2)23)13-3-5-15(6-4-13)24-16-9-22(10-16)17-19-7-14(18)8-20-17/h3-7,11,16H,8-10H2,1-2H3,(H,19,20)(H,21,23)/t11-/m0/s1
InChIKeyLZOIDKFWRJPXIJ-NSHDSACASA-N
XLogP2.14
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide with MolForge

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Related Compounds

N-[1-[4-[1-(5-propan-2-yl-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123428625
N-[1-[4-[1-(5-bromo-6-cyano-2-pyridinyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123780039
N-[1-[4-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123494234
N-[(1S)-1-[4-[(3R)-1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 91824921
N-[1-[4-[1-(3-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123555174
N-[1-[4-[1-[4-(difluoromethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123762188
ethyl 2-[3-[4-(1-acetamidoethyl)phenoxy]azetidin-1-yl]pyrimidine-5-carboxylate
CID 123136125
N-[1-[4-[1-(6-chloroquinolin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123774969
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 90093065
N-[1-[4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123377438
3-[(1S)-1-[4-[1-(4-cyclopropyloxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1,1-dimethylurea
CID 71622992
N-[1-[4-[1-(2-chloro-4-propoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 123536154

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide (CID 163762683) is N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is CC(=O)N[C@@H](C)c1ccc(OC2CN(C3=NCC(Br)=CN3)C2)cc1.
What is the InChIKey of N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
The InChIKey is LZOIDKFWRJPXIJ-NSHDSACASA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-11(21-12(2)23)13-3-5-15(6-4-13)24-16-9-22(10-16)17-19-7-14(18)8-20-17/h3-7,11,16H,8-10H2,1-2H3,(H,19,20)(H,21,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide?
N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 393.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[1-(5-bromo-1,4-dihydropyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 163762683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).