[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate

C14H22N6O3 — CID 25308271

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
SMILESCN(C)c1nc(N)nc(COC(=O)CN2CCCCCC2=O)n1
InChIInChI=1S/C14H22N6O3/c1-19(2)14-17-10(16-13(15)18-14)9-23-12(22)8-20-7-5-3-4-6-11(20)21/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVRSHVUOGWDSPQC-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.03
Rot. Bonds5

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate (PubChem CID 25308271) has the molecular formula C14H22N6O3 and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
PubChem CID25308271
Molecular FormulaC14H22N6O3
Molecular Weight322.37 g/mol
Exact Mass322.18
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate
SMILESCN(C)c1nc(N)nc(COC(=O)CN2CCCCCC2=O)n1
InChIInChI=1S/C14H22N6O3/c1-19(2)14-17-10(16-13(15)18-14)9-23-12(22)8-20-7-5-3-4-6-11(20)21/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyVRSHVUOGWDSPQC-UHFFFAOYSA-N
XLogP-0.03
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate with MolForge

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 2-(2-oxoazepan-1-yl)acetate
CID 27910056
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetate
CID 16575648
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 46658615
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55458738
[(E)-3-chloroprop-2-enyl] 2-(2-oxoazepan-1-yl)acetate
CID 75412929
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
methyl 4-methyl-2-[[2-(2-oxoazepan-1-yl)acetyl]oxymethyl]quinoline-3-carboxylate
CID 8603142
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
[2-(2-oxopyrrolidin-1-yl)acetyl]oxymethyl 2,2-dimethylpropanoate;hydrochloride
CID 139633052

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate (CID 25308271) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate is CN(C)c1nc(N)nc(COC(=O)CN2CCCCCC2=O)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate?
The InChIKey is VRSHVUOGWDSPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O3/c1-19(2)14-17-10(16-13(15)18-14)9-23-12(22)8-20-7-5-3-4-6-11(20)21/h3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate has a molecular weight of 322.37 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(2-oxoazepan-1-yl)acetate is sourced from PubChem (CID 25308271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).