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

C5H4Cl2N4O — CID 19736187

IUPACN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
SMILESCN(C=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3
InChIKeyIQCJZVSUDSZQJZ-UHFFFAOYSA-N
MW207.02 g/mol
LogP0.77
Rot. Bonds2

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

N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide (PubChem CID 19736187) has the molecular formula C5H4Cl2N4O and a molecular weight of 207.02 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
PubChem CID19736187
Molecular FormulaC5H4Cl2N4O
Molecular Weight207.02 g/mol
Exact Mass205.98
IUPAC NameN-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
SMILESCN(C=O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3
InChIKeyIQCJZVSUDSZQJZ-UHFFFAOYSA-N
XLogP0.77
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide
CID 173426731
Pentamethyl-N-formylmelamine
CID 358715
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 18926846
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 20036841
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-ethylformamide
CID 20562298
N-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 53655900
N-methyl-N-(1,3,5-triazin-2-yl)formamide
CID 54024989
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
CID 54258198
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 54266606
N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methylformamide
CID 54332868
N,N-dimethylformamide;1,3,5-triazine-2,4,6-triamine
CID 157188183

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide?
The IUPAC name of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide (CID 19736187) is N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide.
What is the SMILES notation for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide?
The canonical SMILES for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide is CN(C=O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide?
The InChIKey is IQCJZVSUDSZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4O/c1-11(2-12)5-9-3(6)8-4(7)10-5/h2H,1H3.
What are the key properties of N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide?
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide has a molecular weight of 207.02 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide is sourced from PubChem (CID 19736187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).