N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide

C13H24N6O2 — CID 80785605

IUPACN-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOc1nc(NC)nc(N(CC)CC(=O)NCC)n1
InChIInChI=1S/C13H24N6O2/c1-5-8-21-13-17-11(14-4)16-12(18-13)19(7-3)9-10(20)15-6-2/h5-9H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyMCLAAAFSPQPURY-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.66
Rot. Bonds9

About N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide

N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 80785605) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID80785605
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC NameN-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCCOc1nc(NC)nc(N(CC)CC(=O)NCC)n1
InChIInChI=1S/C13H24N6O2/c1-5-8-21-13-17-11(14-4)16-12(18-13)19(7-3)9-10(20)15-6-2/h5-9H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyMCLAAAFSPQPURY-UHFFFAOYSA-N
XLogP0.66
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.66
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-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
2-[2,2-difluoroethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanol
CID 107495210
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 80785242
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide (CID 80785605) is N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide is CCCOc1nc(NC)nc(N(CC)CC(=O)NCC)n1.
What is the InChIKey of N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is MCLAAAFSPQPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-5-8-21-13-17-11(14-4)16-12(18-13)19(7-3)9-10(20)15-6-2/h5-9H2,1-4H3,(H,15,20)(H,14,16,17,18).
What are the key properties of N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide?
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 296.38 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 80785605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).