2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

C8H13ClN6O — CID 80802981

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN6O/c1-4(5(16)10-2)12-8-14-6(9)13-7(11-3)15-8/h4H,1-3H3,(H,10,16)(H2,11,12,13,14,15)
InChIKeySWHDKHOZETWYNF-UHFFFAOYSA-N
MW244.69 g/mol
LogP0.11
Rot. Bonds4

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (PubChem CID 80802981) has the molecular formula C8H13ClN6O and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
PubChem CID80802981
Molecular FormulaC8H13ClN6O
Molecular Weight244.69 g/mol
Exact Mass244.08
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(NC)n1
InChIInChI=1S/C8H13ClN6O/c1-4(5(16)10-2)12-8-14-6(9)13-7(11-3)15-8/h4H,1-3H3,(H,10,16)(H2,11,12,13,14,15)
InChIKeySWHDKHOZETWYNF-UHFFFAOYSA-N
XLogP0.11
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide (CID 80802981) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(Cl)nc(NC)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
The InChIKey is SWHDKHOZETWYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O/c1-4(5(16)10-2)12-8-14-6(9)13-7(11-3)15-8/h4H,1-3H3,(H,10,16)(H2,11,12,13,14,15).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide has a molecular weight of 244.69 g/mol, XLogP of 0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 80802981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).