2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

C12H21N7O — CID 80804171

IUPAC2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-8(9(20)14-2)15-11-16-10(13)17-12(18-11)19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,20)(H3,13,15,16,17,18)
InChIKeyQQFWYVUIVKKSJM-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.01
Rot. Bonds4

About 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 80804171) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID80804171
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-8(9(20)14-2)15-11-16-10(13)17-12(18-11)19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,20)(H3,13,15,16,17,18)
InChIKeyQQFWYVUIVKKSJM-UHFFFAOYSA-N
XLogP-0.01
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide with MolForge

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Related Compounds

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80803085
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
methyl 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methylbutanoate
CID 80791113
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 83180133
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80784562
2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylpropanamide
CID 80781706
4-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 80852828
ethyl 2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80783472
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
2-N-[1-(oxolan-2-yl)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80774979
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
CID 80779307
(2R)-2-[[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]propanoic acid
CID 122049941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 80804171) is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is QQFWYVUIVKKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-8(9(20)14-2)15-11-16-10(13)17-12(18-11)19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,20)(H3,13,15,16,17,18).
What are the key properties of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 279.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 80804171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).