1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide

C11H16ClN5O2 — CID 55124180

IUPAC1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC2C(=O)NC)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17-6-4-5-7(17)8(18)13-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyGAVWMBUQOWPJOE-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.64
Rot. Bonds4

About 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 55124180) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID55124180
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC2C(=O)NC)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17-6-4-5-7(17)8(18)13-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyGAVWMBUQOWPJOE-UHFFFAOYSA-N
XLogP0.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 62858177
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
CID 55124177
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62858342
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321034
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
1-(2,5-dichloropyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
CID 79632083
ethyl 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877533
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
CID 62857405

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 55124180) is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is CCOc1nc(Cl)nc(N2CCCC2C(=O)NC)n1.
What is the InChIKey of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GAVWMBUQOWPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-3-19-11-15-9(12)14-10(16-11)17-6-4-5-7(17)8(18)13-2/h7H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 285.74 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55124180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).