2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid

C6H10N6O2 — CID 91619743

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid
SMILESCC(Nc1nc(N)nc(N)n1)C(=O)O
InChIInChI=1S/C6H10N6O2/c1-2(3(13)14)9-6-11-4(7)10-5(8)12-6/h2H,1H3,(H,13,14)(H5,7,8,9,10,11,12)
InChIKeyMBRRXZWYIHECDL-UHFFFAOYSA-N
MW198.19 g/mol
LogP-1.08
Rot. Bonds3

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid (PubChem CID 91619743) has the molecular formula C6H10N6O2 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid
PubChem CID91619743
Molecular FormulaC6H10N6O2
Molecular Weight198.19 g/mol
Exact Mass198.09
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid
SMILESCC(Nc1nc(N)nc(N)n1)C(=O)O
InChIInChI=1S/C6H10N6O2/c1-2(3(13)14)9-6-11-4(7)10-5(8)12-6/h2H,1H3,(H,13,14)(H5,7,8,9,10,11,12)
InChIKeyMBRRXZWYIHECDL-UHFFFAOYSA-N
XLogP-1.08
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Cyanazine acid
CID 181486
Glycine, N,N'-(6-chloro-s-triazine-2,4-diyl)di-
CID 23007
Proglinazine
CID 14621415
Eglinazine
CID 109865
1,3,5-Triazine-2,4,6-triyltrisglycine
CID 17802206
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 54314700
N-(4-Amino-6-chloro-1,3,5-triazin-2-yl)-2-methylalanine
CID 71359569
Methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62859804
N-(monochloro-s-triazinyl)-l-alanine
CID 129700896
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 176432249
Glycine, N-[4-[(1,1-dimethylethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]-N-propyl-
CID 122051300
4,6-Dimethoxy-1,3,5-triazin-2-yl-glycine
CID 14670858

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid (CID 91619743) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid is CC(Nc1nc(N)nc(N)n1)C(=O)O.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid?
The InChIKey is MBRRXZWYIHECDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2/c1-2(3(13)14)9-6-11-4(7)10-5(8)12-6/h2H,1H3,(H,13,14)(H5,7,8,9,10,11,12).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid?
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid has a molecular weight of 198.19 g/mol, XLogP of -1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 91619743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).