2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide

C9H15ClN6O — CID 80805489

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-12-6(17)5-16(3)9-14-7(10)13-8(11-2)15-9/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15)
InChIKeyAYWRCJMWMLKYFB-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.14
Rot. Bonds5

About 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide (PubChem CID 80805489) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
PubChem CID80805489
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1nc(Cl)nc(NC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-12-6(17)5-16(3)9-14-7(10)13-8(11-2)15-9/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15)
InChIKeyAYWRCJMWMLKYFB-UHFFFAOYSA-N
XLogP0.14
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(3-chloro-1,2,4-triazin-5-yl)-methylamino]-N-ethylacetamide
CID 115000863
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80902251
N-ethyl-2-[ethyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80785605
2-N,2-N-dibutyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80754638
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide (CID 80805489) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1nc(Cl)nc(NC)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide?
The InChIKey is AYWRCJMWMLKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-4-12-6(17)5-16(3)9-14-7(10)13-8(11-2)15-9/h4-5H2,1-3H3,(H,12,17)(H,11,13,14,15).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide has a molecular weight of 258.71 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 80805489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).