3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide

C8H13ClN6O — CID 62863008

IUPAC3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCN(C)c1nc(Cl)nc(NCCC(N)=O)n1
InChIInChI=1S/C8H13ClN6O/c1-15(2)8-13-6(9)12-7(14-8)11-4-3-5(10)16/h3-4H2,1-2H3,(H2,10,16)(H,11,12,13,14)
InChIKeyZVECKMIDQJYLGL-UHFFFAOYSA-N
MW244.69 g/mol
LogP-0.12
Rot. Bonds5

About 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide

3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 62863008) has the molecular formula C8H13ClN6O and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID62863008
Molecular FormulaC8H13ClN6O
Molecular Weight244.69 g/mol
Exact Mass244.08
IUPAC Name3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCN(C)c1nc(Cl)nc(NCCC(N)=O)n1
InChIInChI=1S/C8H13ClN6O/c1-15(2)8-13-6(9)12-7(14-8)11-4-3-5(10)16/h3-4H2,1-2H3,(H2,10,16)(H,11,12,13,14)
InChIKeyZVECKMIDQJYLGL-UHFFFAOYSA-N
XLogP-0.12
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, N-(4-chloro-6-((1-methylethyl)amino)-1,3,5-triazin-2-yl)-
CID 158502
Acetamide, N-(4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)-
CID 178647
6-Chloro-N-sec-butyl-N'-acetyl-1,3,5-triazine-2,4-diamine
CID 91726162
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981
2-cyclopropylamino-4-propanoylamino-6-amino-1,3,5-triazine-HCl
CID 21243164
3-[(3-Amino-3-oxopropyl)-(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 59945576
acetamide;2-N-tert-butyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 87097569
acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 87097586
N-[4-(dimethylamino)-6-(propanoylamino)-1,3,5-triazin-2-yl]propanamide
CID 118672147
N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 154089981
N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylpropanamide
CID 154190634
N-[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanamide
CID 156423231

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 62863008) is 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide is CN(C)c1nc(Cl)nc(NCCC(N)=O)n1.
What is the InChIKey of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is ZVECKMIDQJYLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O/c1-15(2)8-13-6(9)12-7(14-8)11-4-3-5(10)16/h3-4H2,1-2H3,(H2,10,16)(H,11,12,13,14).
What are the key properties of 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 244.69 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 62863008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).