N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine

C8H16N6O — CID 139062112

IUPACN,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCC(=O)N(C)C.Cc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N5.C4H9NO/c1-2-7-3(5)9-4(6)8-2;1-4(6)5(2)3/h1H3,(H4,5,6,7,8,9);1-3H3
InChIKeyRLQWPFIJZSCMCQ-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.56
Rot. Bonds

About N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine

N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 139062112) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound NameN,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID139062112
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC NameN,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine
SMILESCC(=O)N(C)C.Cc1nc(N)nc(N)n1
InChIInChI=1S/C4H7N5.C4H9NO/c1-2-7-3(5)9-4(6)8-2;1-4(6)5(2)3/h1H3,(H4,5,6,7,8,9);1-3H3
InChIKeyRLQWPFIJZSCMCQ-UHFFFAOYSA-N
XLogP-0.56
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine (CID 139062112) is N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine is CC(=O)N(C)C.Cc1nc(N)nc(N)n1.
What is the InChIKey of N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RLQWPFIJZSCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5.C4H9NO/c1-2-7-3(5)9-4(6)8-2;1-4(6)5(2)3/h1H3,(H4,5,6,7,8,9);1-3H3.
What are the key properties of N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine?
N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 212.26 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylacetamide;6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139062112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).