2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine

C8H16N6O2 — CID 174854158

IUPAC2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)C(=O)O.CNc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6.C4H8O2/c1-7-4-9-2(5)8-3(6)10-4;1-3(2)4(5)6/h1H3,(H5,5,6,7,8,9,10);3H,1-2H3,(H,5,6)
InChIKeyJGUJQCKXKGUVBR-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.20
Rot. Bonds2

About 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 174854158) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID174854158
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)C(=O)O.CNc1nc(N)nc(N)n1
InChIInChI=1S/C4H8N6.C4H8O2/c1-7-4-9-2(5)8-3(6)10-4;1-3(2)4(5)6/h1H3,(H5,5,6,7,8,9,10);3H,1-2H3,(H,5,6)
InChIKeyJGUJQCKXKGUVBR-UHFFFAOYSA-N
XLogP-0.20
TPSA140.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 174854158) is 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine is CC(C)C(=O)O.CNc1nc(N)nc(N)n1.
What is the InChIKey of 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JGUJQCKXKGUVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6.C4H8O2/c1-7-4-9-2(5)8-3(6)10-4;1-3(2)4(5)6/h1H3,(H5,5,6,7,8,9,10);3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174854158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).