4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide

C9H11Cl2N5O2 — CID 83103129

IUPAC4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N5O2/c1-12-6(17)5-4-18-3-2-16(5)9-14-7(10)13-8(11)15-9/h5H,2-4H2,1H3,(H,12,17)
InChIKeyRJJVORYQRHTZMN-UHFFFAOYSA-N
MW292.13 g/mol
LogP0.13
Rot. Bonds2

About 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide

4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83103129) has the molecular formula C9H11Cl2N5O2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83103129
Molecular FormulaC9H11Cl2N5O2
Molecular Weight292.13 g/mol
Exact Mass291.03
IUPAC Name4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H11Cl2N5O2/c1-12-6(17)5-4-18-3-2-16(5)9-14-7(10)13-8(11)15-9/h5H,2-4H2,1H3,(H,12,17)
InChIKeyRJJVORYQRHTZMN-UHFFFAOYSA-N
XLogP0.13
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-cyano-6-methylpyrimidin-2-yl)-N-methylmorpholine-3-carboxamide
CID 107545051
4-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105799
4-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83103056
4-(2-carbamothioyl-4-chlorophenyl)-N-methylmorpholine-3-carboxamide
CID 83098502
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
4-[4-chloro-6-(3-propan-2-ylmorpholin-4-yl)-1,3,5-triazin-2-yl]-3-propan-2-ylmorpholine
CID 137453759
4-(5-amino-6-cyano-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 103468954
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 104513820
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
4-[4-(aminomethyl)-2,3-difluorophenyl]-N-methylmorpholine-3-carboxamide
CID 107933034

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide (CID 83103129) is 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is RJJVORYQRHTZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5O2/c1-12-6(17)5-4-18-3-2-16(5)9-14-7(10)13-8(11)15-9/h5H,2-4H2,1H3,(H,12,17).
What are the key properties of 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide?
4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 292.13 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83103129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).