2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide

C8H15N7O — CID 19909970

IUPAC2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N7O/c1-2-3-11-5(16)4-12-8-14-6(9)13-7(10)15-8/h2-4H2,1H3,(H,11,16)(H5,9,10,12,13,14,15)
InChIKeyRUSXCDFOMVQBEB-UHFFFAOYSA-N
MW225.26 g/mol
LogP-1.03
Rot. Bonds5

About 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide

2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide (PubChem CID 19909970) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide
PubChem CID19909970
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(N)n1
InChIInChI=1S/C8H15N7O/c1-2-3-11-5(16)4-12-8-14-6(9)13-7(10)15-8/h2-4H2,1H3,(H,11,16)(H5,9,10,12,13,14,15)
InChIKeyRUSXCDFOMVQBEB-UHFFFAOYSA-N
XLogP-1.03
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Cyanazine amide
CID 115299
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylpropanamide
CID 2909387
2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
2-(N-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 658316
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
2-(N-(4,6-bis(isopropylamino)-1,3,5-triazin-2-yl)cyanamido)-N,N-dimethylpropanamide
CID 3094811
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
N-[5-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]pentyl]acetamide
CID 67740795
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87784505
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62870615

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide (CID 19909970) is 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc(N)nc(N)n1.
What is the InChIKey of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
The InChIKey is RUSXCDFOMVQBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-2-3-11-5(16)4-12-8-14-6(9)13-7(10)15-8/h2-4H2,1H3,(H,11,16)(H5,9,10,12,13,14,15).
What are the key properties of 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide?
2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide has a molecular weight of 225.26 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-N-propylacetamide is sourced from PubChem (CID 19909970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).