2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide

C14H18FN3O2 — CID 82248895

IUPAC2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C14H18FN3O2/c1-18(2)12(19)9-20-11-6-3-5-10(15)13(11)14-16-7-4-8-17-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyJTJVDBUWFALUDE-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.03
Rot. Bonds4

About 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide

2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide (PubChem CID 82248895) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
PubChem CID82248895
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C14H18FN3O2/c1-18(2)12(19)9-20-11-6-3-5-10(15)13(11)14-16-7-4-8-17-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyJTJVDBUWFALUDE-UHFFFAOYSA-N
XLogP1.03
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
2-(2-carbamimidoyl-3-fluorophenoxy)-N,N-dimethylacetamide
CID 82240685
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)oxy]acetamide
CID 142276764
2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide (CID 82248895) is 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is JTJVDBUWFALUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-18(2)12(19)9-20-11-6-3-5-10(15)13(11)14-16-7-4-8-17-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide?
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 279.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 82248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).