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

C10H14ClN5O2 — CID 62858177

IUPAC1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H14ClN5O2/c1-12-7(17)6-4-3-5-16(6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17)
InChIKeyZQAZIHKKAHJFRW-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.25
Rot. Bonds3

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

1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 62858177) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID62858177
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc(Cl)nc(OC)n1
InChIInChI=1S/C10H14ClN5O2/c1-12-7(17)6-4-3-5-16(6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17)
InChIKeyZQAZIHKKAHJFRW-UHFFFAOYSA-N
XLogP0.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 55124180
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62858342
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)pyrrolidine-2-carboxamide
CID 55124177
1-(2-chloroquinazolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 62477865
1-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]pyrrolidine-2-carboxylic acid
CID 122058843
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carbaldehyde
CID 62858844
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 175658448
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776654
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83103129
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62857822
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide (CID 62858177) is 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc(Cl)nc(OC)n1.
What is the InChIKey of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZQAZIHKKAHJFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-12-7(17)6-4-3-5-16(6)9-13-8(11)14-10(15-9)18-2/h6H,3-5H2,1-2H3,(H,12,17).
What are the key properties of 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide?
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62858177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).