N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide

C19H21FN4O2 — CID 91795366

IUPACN-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(N3CC(Oc4ccccc4F)C3)ncn2)C1
InChIInChI=1S/C19H21FN4O2/c1-12(25)23-14-6-13(7-14)17-8-19(22-11-21-17)24-9-15(10-24)26-18-5-3-2-4-16(18)20/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyHUHWZFLNZGIGNA-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.27
Rot. Bonds5

About N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide

N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide (PubChem CID 91795366) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide
PubChem CID91795366
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2cc(N3CC(Oc4ccccc4F)C3)ncn2)C1
InChIInChI=1S/C19H21FN4O2/c1-12(25)23-14-6-13(7-14)17-8-19(22-11-21-17)24-9-15(10-24)26-18-5-3-2-4-16(18)20/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,25)
InChIKeyHUHWZFLNZGIGNA-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-[2-(4-Fluorophenoxy)ethyl]-N6-[(1S)-(1-phenylethyl)]pyrimidine-4,6-diamine
CID 44393171
N-[1-[4-(4-fluorophenoxy)phenyl]propyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 16076210
1-(6-(4-(2-(Diethylamino)ethoxy)phenylamino)pyrimidin-4-yl)-3-(2,6-difluorophenyl)-1-methylurea
CID 44412602
(2S)-2-[[2-(cyclohexylmethylamino)-6-methylpyrimidin-4-yl]amino]-4-methyl-N-(2-phenoxyethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 44528094
2-[3-(4-fluorophenoxy)azetidin-1-yl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 44528415
N-[(1S)-1-[4-[(3R)-1-[6-(cyclopropylmethoxy)-5-fluoropyrimidin-4-yl]pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 86303053
N-[(1S)-1-[4-[(3R)-1-(5-fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
CID 86303367
N-[(1S)-1-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89622351
N-[1-[4-[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89622352
N-[(1S)-1-[4-[1-[4-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643313
N-[(1S)-1-[4-[1-[5-fluoro-6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643318
N-[1-[4-[1-(5-propylpyrimidin-2-yl)azetidin-3-yl]oxyphenyl]ethyl]acetamide
CID 89643404

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide (CID 91795366) is N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2cc(N3CC(Oc4ccccc4F)C3)ncn2)C1.
What is the InChIKey of N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide?
The InChIKey is HUHWZFLNZGIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-12(25)23-14-6-13(7-14)17-8-19(22-11-21-17)24-9-15(10-24)26-18-5-3-2-4-16(18)20/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,25).
What are the key properties of N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide?
N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91795366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).