2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide

C17H26N8O2 — CID 72839859

IUPAC2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
SMILESCc1cc(C)nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C17H26N8O2/c1-11-5-12(2)20-15(19-11)6-18-17(26)10-25-16(21-22-23-25)9-24-7-13(3)27-14(4)8-24/h5,13-14H,6-10H2,1-4H3,(H,18,26)/t13-,14+
InChIKeyHWBMVFHSBFCGDX-OKILXGFUSA-N
MW374.45 g/mol
LogP0.01
Rot. Bonds6

About 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide

2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide (PubChem CID 72839859) has the molecular formula C17H26N8O2 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
PubChem CID72839859
Molecular FormulaC17H26N8O2
Molecular Weight374.45 g/mol
Exact Mass374.22
IUPAC Name2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide
SMILESCc1cc(C)nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C17H26N8O2/c1-11-5-12(2)20-15(19-11)6-18-17(26)10-25-16(21-22-23-25)9-24-7-13(3)27-14(4)8-24/h5,13-14H,6-10H2,1-4H3,(H,18,26)/t13-,14+
InChIKeyHWBMVFHSBFCGDX-OKILXGFUSA-N
XLogP0.01
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide (CID 72839859) is 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide is Cc1cc(C)nc(CNC(=O)Cn2nnnc2CN2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is HWBMVFHSBFCGDX-OKILXGFUSA-N. The full InChI is InChI=1S/C17H26N8O2/c1-11-5-12(2)20-15(19-11)6-18-17(26)10-25-16(21-22-23-25)9-24-7-13(3)27-14(4)8-24/h5,13-14H,6-10H2,1-4H3,(H,18,26)/t13-,14+.
What are the key properties of 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide?
2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 374.45 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]tetrazol-1-yl]-N-[(4,6-dimethylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 72839859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).