2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide

C10H17N7O — CID 80778498

IUPAC2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N7O/c1-16(6-7(11)18)9-13-8(12)14-10(15-9)17-4-2-3-5-17/h2-6H2,1H3,(H2,11,18)(H2,12,13,14,15)
InChIKeyHBMCWDWNAGCHFE-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.02
Rot. Bonds4

About 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide

2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide (PubChem CID 80778498) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
PubChem CID80778498
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C10H17N7O/c1-16(6-7(11)18)9-13-8(12)14-10(15-9)17-4-2-3-5-17/h2-6H2,1H3,(H2,11,18)(H2,12,13,14,15)
InChIKeyHBMCWDWNAGCHFE-UHFFFAOYSA-N
XLogP-1.02
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
CID 80779307
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
CID 106918444
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 80754225
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819926
4-N-methyl-6-piperidin-1-yl-4-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80774971

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The IUPAC name of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide (CID 80778498) is 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The canonical SMILES for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide is CN(CC(N)=O)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The InChIKey is HBMCWDWNAGCHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16(6-7(11)18)9-13-8(12)14-10(15-9)17-4-2-3-5-17/h2-6H2,1H3,(H2,11,18)(H2,12,13,14,15).
What are the key properties of 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide has a molecular weight of 251.29 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 80778498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).