N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide

C12H21N7O2 — CID 95706756

IUPACN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide
SMILESCN(C)c1nc(N)nc(CNC(=O)C[C@H]2COCCN2)n1
InChIInChI=1S/C12H21N7O2/c1-19(2)12-17-9(16-11(13)18-12)6-15-10(20)5-8-7-21-4-3-14-8/h8,14H,3-7H2,1-2H3,(H,15,20)(H2,13,16,17,18)/t8-/m0/s1
InChIKeyBDFSNIGNKOXXPZ-QMMMGPOBSA-N
MW295.35 g/mol
LogP-1.49
Rot. Bonds5

About N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide

N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide (PubChem CID 95706756) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide
PubChem CID95706756
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide
SMILESCN(C)c1nc(N)nc(CNC(=O)C[C@H]2COCCN2)n1
InChIInChI=1S/C12H21N7O2/c1-19(2)12-17-9(16-11(13)18-12)6-15-10(20)5-8-7-21-4-3-14-8/h8,14H,3-7H2,1-2H3,(H,15,20)(H2,13,16,17,18)/t8-/m0/s1
InChIKeyBDFSNIGNKOXXPZ-QMMMGPOBSA-N
XLogP-1.49
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide with MolForge

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-morpholin-3-ylacetamide
CID 106371651
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-morpholin-3-ylacetamide
CID 105417370
N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
CID 114956082
N-(2-methylprop-2-enyl)-2-morpholin-3-ylacetamide
CID 114617037
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[(3R)-morpholin-3-yl]acetamide
CID 95717466
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
CID 80682093
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3S)-morpholin-3-yl]acetamide
CID 95719072
2-morpholin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 56894102
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
N-(2-cyclopentyl-2-methylpropyl)-2-morpholin-3-ylacetamide
CID 115178172
2-[(3S)-morpholin-3-yl]acetamide
CID 96824646
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-[(3S)-morpholin-3-yl]acetamide
CID 95712319

Frequently Asked Questions

What is the IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide?
The IUPAC name of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide (CID 95706756) is N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide.
What is the SMILES notation for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide?
The canonical SMILES for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide is CN(C)c1nc(N)nc(CNC(=O)C[C@H]2COCCN2)n1.
What is the InChIKey of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide?
The InChIKey is BDFSNIGNKOXXPZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-19(2)12-17-9(16-11(13)18-12)6-15-10(20)5-8-7-21-4-3-14-8/h8,14H,3-7H2,1-2H3,(H,15,20)(H2,13,16,17,18)/t8-/m0/s1.
What are the key properties of N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide?
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide has a molecular weight of 295.35 g/mol, XLogP of -1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-[(3S)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95706756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).