N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide

C15H24N4O2 — CID 110259073

IUPACN-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(2)17-15(16-11)19-7-4-5-13(6-8-19)18-14(20)10-21-3/h9,13H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyNAYSSQBJSCSXNY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds4

About N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide

N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide (PubChem CID 110259073) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
PubChem CID110259073
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H24N4O2/c1-11-9-12(2)17-15(16-11)19-7-4-5-13(6-8-19)18-14(20)10-21-3/h9,13H,4-8,10H2,1-3H3,(H,18,20)
InChIKeyNAYSSQBJSCSXNY-UHFFFAOYSA-N
XLogP1.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
CID 95829323
N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 95922640
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-methylbenzamide
CID 136577669
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 166603024
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 66509632
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide
CID 95717925

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide (CID 110259073) is N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The InChIKey is NAYSSQBJSCSXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-12(2)17-15(16-11)19-7-4-5-13(6-8-19)18-14(20)10-21-3/h9,13H,4-8,10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 110259073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).