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

C10H19N7O — CID 80786919

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N7O/c1-4-5-12-7(18)6-13-9-14-8(11)15-10(16-9)17(2)3/h4-6H2,1-3H3,(H,12,18)(H3,11,13,14,15,16)
InChIKeyLWJOPBPUKBPJPN-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.54
Rot. Bonds6

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide (PubChem CID 80786919) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
PubChem CID80786919
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N7O/c1-4-5-12-7(18)6-13-9-14-8(11)15-10(16-9)17(2)3/h4-6H2,1-3H3,(H,12,18)(H3,11,13,14,15,16)
InChIKeyLWJOPBPUKBPJPN-UHFFFAOYSA-N
XLogP-0.54
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]pentan-2-ol
CID 113496716
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
4-N-(2,2-dimethylheptyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80852626
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide (CID 80786919) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The InChIKey is LWJOPBPUKBPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-4-5-12-7(18)6-13-9-14-8(11)15-10(16-9)17(2)3/h4-6H2,1-3H3,(H,12,18)(H3,11,13,14,15,16).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide has a molecular weight of 253.31 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 80786919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).