2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid

C8H14N6O2 — CID 54314700

IUPAC2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCNc1nc(NCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H14N6O2/c1-9-6-11-7(10-4-5(15)16)13-8(12-6)14(2)3/h4H2,1-3H3,(H,15,16)(H2,9,10,11,12,13)
InChIKeySNISNWQDVMEVPS-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.52
Rot. Bonds5

About 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid

2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid (PubChem CID 54314700) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
PubChem CID54314700
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid
SMILESCNc1nc(NCC(=O)O)nc(N(C)C)n1
InChIInChI=1S/C8H14N6O2/c1-9-6-11-7(10-4-5(15)16)13-8(12-6)14(2)3/h4H2,1-3H3,(H,15,16)(H2,9,10,11,12,13)
InChIKeySNISNWQDVMEVPS-UHFFFAOYSA-N
XLogP-0.52
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid (CID 54314700) is 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid is CNc1nc(NCC(=O)O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
The InChIKey is SNISNWQDVMEVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-9-6-11-7(10-4-5(15)16)13-8(12-6)14(2)3/h4H2,1-3H3,(H,15,16)(H2,9,10,11,12,13).
What are the key properties of 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid?
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetic acid is sourced from PubChem (CID 54314700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).