N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide

C7H9ClN4O2 — CID 132541293

IUPACN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
SMILESCOc1nc(Cl)nc(N(C)C(C)=O)n1
InChIInChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3
InChIKeyIRBQUKSQOOPKOH-UHFFFAOYSA-N
MW216.63 g/mol
LogP0.52
Rot. Bonds2

About N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide

N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide (PubChem CID 132541293) has the molecular formula C7H9ClN4O2 and a molecular weight of 216.63 g/mol. Its IUPAC name is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
PubChem CID132541293
Molecular FormulaC7H9ClN4O2
Molecular Weight216.63 g/mol
Exact Mass216.04
IUPAC NameN-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide
SMILESCOc1nc(Cl)nc(N(C)C(C)=O)n1
InChIInChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3
InChIKeyIRBQUKSQOOPKOH-UHFFFAOYSA-N
XLogP0.52
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.63
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[acetyl(ethyl)amino]-6-chloro-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 19987
N-[4-[acetyl(methoxymethyl)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 20631259
N-[4-[bis(methoxymethyl)amino]-6-[hydroxymethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 21356882
N-[4-[bis(methoxymethyl)amino]-6-(diacetylamino)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 23556493
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N-methylacetamide
CID 53985951
N-[4-[acetyl(hydroxy)amino]-6-[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57558665
N-[4,6-bis[acetyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylacetamide
CID 57802282
N-[4-[acetyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 58757793
N-[4-[bis(methoxymethyl)amino]-6-[hydroxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59602554
N-[4-[bis(methoxymethyl)amino]-6-[methoxy(methoxymethyl)amino]-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 59649975
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-ethylcarbamoyl chloride
CID 88825001
N-[4-(diethylamino)-6-methoxy-1,3,5-triazin-2-yl]-N-ethylacetamide
CID 151824666

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide (CID 132541293) is N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide is COc1nc(Cl)nc(N(C)C(C)=O)n1.
What is the InChIKey of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
The InChIKey is IRBQUKSQOOPKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O2/c1-4(13)12(2)6-9-5(8)10-7(11-6)14-3/h1-3H3.
What are the key properties of N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide?
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide has a molecular weight of 216.63 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 132541293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).