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

C11H20N6O2 — CID 80787956

IUPAC2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-4-6-13-8(18)7-14-10-15-9(12-5-2)16-11(17-10)19-3/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyWXXKCCJVASQFTD-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.25
Rot. Bonds8

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

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide (PubChem CID 80787956) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
PubChem CID80787956
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NCC)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-4-6-13-8(18)7-14-10-15-9(12-5-2)16-11(17-10)19-3/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyWXXKCCJVASQFTD-UHFFFAOYSA-N
XLogP0.25
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide (CID 80787956) is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(NCC)nc(OC)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
The InChIKey is WXXKCCJVASQFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-6-13-8(18)7-14-10-15-9(12-5-2)16-11(17-10)19-3/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17).
What are the key properties of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide?
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide has a molecular weight of 268.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide is sourced from PubChem (CID 80787956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).