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

C11H21N7O — CID 80787461

IUPAC2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)C(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O/c1-5-6-13-9-15-10(14-7(2)8(12)19)17-11(16-9)18(3)4/h7H,5-6H2,1-4H3,(H2,12,19)(H2,13,14,15,16,17)
InChIKeyNAXAPFKBQAUVSN-UHFFFAOYSA-N
MW267.34 g/mol
LogP0.05
Rot. Bonds7

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

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80787461) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80787461
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCCNc1nc(NC(C)C(N)=O)nc(N(C)C)n1
InChIInChI=1S/C11H21N7O/c1-5-6-13-9-15-10(14-7(2)8(12)19)17-11(16-9)18(3)4/h7H,5-6H2,1-4H3,(H2,12,19)(H2,13,14,15,16,17)
InChIKeyNAXAPFKBQAUVSN-UHFFFAOYSA-N
XLogP0.05
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802978
2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80776199
2-N,2-N-dimethyl-4-N-(3-methylpentan-2-yl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80802969
2-N,2-N-dimethyl-4-N-(2-methylpropyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80770907
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
5-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 106138250
methyl 2-[[4-propan-2-yloxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanoate
CID 80783468
4-N-(2,2-dimethylpropyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80797913
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80786818
2-N,2-N-dimethyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90159200
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80786919

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 80787461) is 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is CCCNc1nc(NC(C)C(N)=O)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is NAXAPFKBQAUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-5-6-13-9-15-10(14-7(2)8(12)19)17-11(16-9)18(3)4/h7H,5-6H2,1-4H3,(H2,12,19)(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide?
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 267.34 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80787461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).