4,6-dimethyl-1,3,5-triazine-2-carboxamide

C6H8N4O — CID 118936004

IUPAC4,6-dimethyl-1,3,5-triazine-2-carboxamide
SMILESCc1nc(C)nc(C(N)=O)n1
InChIInChI=1S/C6H8N4O/c1-3-8-4(2)10-6(9-3)5(7)11/h1-2H3,(H2,7,11)
InChIKeyXANVGEYZIPPLKB-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.41
Rot. Bonds1

About 4,6-dimethyl-1,3,5-triazine-2-carboxamide

4,6-dimethyl-1,3,5-triazine-2-carboxamide (PubChem CID 118936004) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 4,6-dimethyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-1,3,5-triazine-2-carboxamide
PubChem CID118936004
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name4,6-dimethyl-1,3,5-triazine-2-carboxamide
SMILESCc1nc(C)nc(C(N)=O)n1
InChIInChI=1S/C6H8N4O/c1-3-8-4(2)10-6(9-3)5(7)11/h1-2H3,(H2,7,11)
InChIKeyXANVGEYZIPPLKB-UHFFFAOYSA-N
XLogP-0.41
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-1,3,5-triazine-2-carboxamide (CID 118936004) is 4,6-dimethyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-1,3,5-triazine-2-carboxamide is Cc1nc(C)nc(C(N)=O)n1.
What is the InChIKey of 4,6-dimethyl-1,3,5-triazine-2-carboxamide?
The InChIKey is XANVGEYZIPPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-3-8-4(2)10-6(9-3)5(7)11/h1-2H3,(H2,7,11).
What are the key properties of 4,6-dimethyl-1,3,5-triazine-2-carboxamide?
4,6-dimethyl-1,3,5-triazine-2-carboxamide has a molecular weight of 152.16 g/mol, XLogP of -0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 118936004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).