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

C13H25N7O — CID 34711949

IUPAC2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N7O/c1-8(2)15-10(21)7-20(6)9(3)11-16-12(14)18-13(17-11)19(4)5/h8-9H,7H2,1-6H3,(H,15,21)(H2,14,16,17,18)/t9-/m0/s1
InChIKeyGFDPOOWQEXNCGN-VIFPVBQESA-N
MW295.39 g/mol
LogP0.04
Rot. Bonds6

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

2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 34711949) has the molecular formula C13H25N7O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID34711949
Molecular FormulaC13H25N7O
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C13H25N7O/c1-8(2)15-10(21)7-20(6)9(3)11-16-12(14)18-13(17-11)19(4)5/h8-9H,7H2,1-6H3,(H,15,21)(H2,14,16,17,18)/t9-/m0/s1
InChIKeyGFDPOOWQEXNCGN-VIFPVBQESA-N
XLogP0.04
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
2-Amino-N-(1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-methylbutyl)-4-methylpentanamide
CID 597304
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
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-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1,3,5-triazin-2-yl]acetic acid
CID 176431636
2-[[4-(dimethylamino)-6-[2-(dimethylamino)-2-oxoethyl]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431637
4-(4-Amino-6-methyl-s-triazin-2-yl)-2-piperazinone
CID 16206908
N-((4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 122254089
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide (CID 34711949) is 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is GFDPOOWQEXNCGN-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25N7O/c1-8(2)15-10(21)7-20(6)9(3)11-16-12(14)18-13(17-11)19(4)5/h8-9H,7H2,1-6H3,(H,15,21)(H2,14,16,17,18)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 295.39 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 34711949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).