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

C15H24N4O2 — CID 95829323

IUPACN-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CCCN(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)/t13-/m1/s1
InChIKeyNAYSSQBJSCSXNY-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.21
Rot. Bonds4

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

N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide (PubChem CID 95829323) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
PubChem CID95829323
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CCCN(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)/t13-/m1/s1
InChIKeyNAYSSQBJSCSXNY-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide (CID 95829323) is N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CCCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
The InChIKey is NAYSSQBJSCSXNY-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of N-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide?
N-[(4R)-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-[(4R)-1-(4,6-dimethylpyrimidin-2-yl)azepan-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 95829323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).