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

C12H22N6O2 — CID 80808988

IUPAC2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
SMILESCCCNc1nc(OC)nc(N(CC)CC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(6-2)8-9(19)13-3/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyNHHBLSJHVJUMIJ-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.27
Rot. Bonds8

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

2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide (PubChem CID 80808988) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
PubChem CID80808988
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
SMILESCCCNc1nc(OC)nc(N(CC)CC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(6-2)8-9(19)13-3/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyNHHBLSJHVJUMIJ-UHFFFAOYSA-N
XLogP0.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
CID 106918542
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide (CID 80808988) is 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide is CCCNc1nc(OC)nc(N(CC)CC(=O)NC)n1.
What is the InChIKey of 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The InChIKey is NHHBLSJHVJUMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(6-2)8-9(19)13-3/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide has a molecular weight of 282.35 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80808988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).