2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide

C8H12ClN5O2 — CID 103103708

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN5O2/c1-3-14(4-5(10)15)7-11-6(9)12-8(13-7)16-2/h3-4H2,1-2H3,(H2,10,15)
InChIKeyYMKVTMIVTRYFAS-UHFFFAOYSA-N
MW245.67 g/mol
LogP-0.15
Rot. Bonds5

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide (PubChem CID 103103708) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
PubChem CID103103708
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)nc(OC)n1
InChIInChI=1S/C8H12ClN5O2/c1-3-14(4-5(10)15)7-11-6(9)12-8(13-7)16-2/h3-4H2,1-2H3,(H2,10,15)
InChIKeyYMKVTMIVTRYFAS-UHFFFAOYSA-N
XLogP-0.15
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-ethylacetamide
CID 62858007
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
4-chloro-N-(cyclopropylmethyl)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 63956305
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
CID 132541293
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911
2-[butyl-[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80820628

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide (CID 103103708) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide?
The InChIKey is YMKVTMIVTRYFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5O2/c1-3-14(4-5(10)15)7-11-6(9)12-8(13-7)16-2/h3-4H2,1-2H3,(H2,10,15).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide has a molecular weight of 245.67 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide is sourced from PubChem (CID 103103708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).