2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide

C12H23N7O — CID 18124527

IUPAC2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H23N7O/c1-8(19(6)7-9(20)17(2)3)10-14-11(13)16-12(15-10)18(4)5/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyBXYPTKZDAULNTC-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.40
Rot. Bonds5

About 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide

2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide (PubChem CID 18124527) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide
PubChem CID18124527
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide
SMILESCC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H23N7O/c1-8(19(6)7-9(20)17(2)3)10-14-11(13)16-12(15-10)18(4)5/h8H,7H2,1-6H3,(H2,13,14,15,16)
InChIKeyBXYPTKZDAULNTC-UHFFFAOYSA-N
XLogP-0.40
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
4-(Dibutylamino)-6-methoxy-1,3,5-triazine-2-carboxamide
CID 4260974
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
2-[[4-(dimethylamino)-6-[2-(dimethylamino)-2-oxoethyl]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431637
1-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868070
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]-3-propan-2-ylimidazolidin-3-ium-2,4-dione
CID 21091287
N-[[[(4-ethyl-6-methyl-1,3,5-triazin-2-yl)-methylamino]methylamino]methyl]-N-methylacetamide
CID 54173456
2-N,4-N,6-N-tripropyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 121298982
2-N-butan-2-yl-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-dicarboxamide
CID 140377572
2-(diethylamino)-N-(4-methoxy-6-propan-2-yl-1,3,5-triazin-2-yl)acetamide
CID 153777078

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide (CID 18124527) is 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide is CC(c1nc(N)nc(N(C)C)n1)N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is BXYPTKZDAULNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-8(19(6)7-9(20)17(2)3)10-14-11(13)16-12(15-10)18(4)5/h8H,7H2,1-6H3,(H2,13,14,15,16).
What are the key properties of 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide?
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 281.36 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 18124527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).