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

C11H20N6O2 — CID 80784036

IUPAC2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-5-6-12-9-14-10(16-11(15-9)19-4)13-7-8(18)17(2)3/h5-7H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyWFRGQLVBAOTPNO-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.20
Rot. Bonds7

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

2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 80784036) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID80784036
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCCNc1nc(NCC(=O)N(C)C)nc(OC)n1
InChIInChI=1S/C11H20N6O2/c1-5-6-12-9-14-10(16-11(15-9)19-4)13-7-8(18)17(2)3/h5-7H2,1-4H3,(H2,12,13,14,15,16)
InChIKeyWFRGQLVBAOTPNO-UHFFFAOYSA-N
XLogP0.20
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl carbamate
CID 83215694
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80787956
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
CID 106918542
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80780126

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (CID 80784036) is 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is CCCNc1nc(NCC(=O)N(C)C)nc(OC)n1.
What is the InChIKey of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is WFRGQLVBAOTPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-5-6-12-9-14-10(16-11(15-9)19-4)13-7-8(18)17(2)3/h5-7H2,1-4H3,(H2,12,13,14,15,16).
What are the key properties of 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 268.32 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 80784036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).