N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide

C6H8ClN5O — CID 18926846

IUPACN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCNc1nc(Cl)nc(N(C)C=O)n1
InChIInChI=1S/C6H8ClN5O/c1-8-5-9-4(7)10-6(11-5)12(2)3-13/h3H,1-2H3,(H,8,9,10,11)
InChIKeyGQOKBXDYKJQMRJ-UHFFFAOYSA-N
MW201.62 g/mol
LogP0.16
Rot. Bonds3

About N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide

N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide (PubChem CID 18926846) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
PubChem CID18926846
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC NameN-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCNc1nc(Cl)nc(N(C)C=O)n1
InChIInChI=1S/C6H8ClN5O/c1-8-5-9-4(7)10-6(11-5)12(2)3-13/h3H,1-2H3,(H,8,9,10,11)
InChIKeyGQOKBXDYKJQMRJ-UHFFFAOYSA-N
XLogP0.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-Diamino-1,3,5-triazin-2-yl)formamide
CID 25796
Hmmm TP243
CID 156601176
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364
formaldehyde;2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18506374
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
CID 19736187
1-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 20036841
N-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473
N-(4,6-diformamido-1,3,5-triazin-2-yl)formamide
CID 21693614

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide?
The IUPAC name of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide (CID 18926846) is N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide.
What is the SMILES notation for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide?
The canonical SMILES for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide is CNc1nc(Cl)nc(N(C)C=O)n1.
What is the InChIKey of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide?
The InChIKey is GQOKBXDYKJQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN5O/c1-8-5-9-4(7)10-6(11-5)12(2)3-13/h3H,1-2H3,(H,8,9,10,11).
What are the key properties of N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide?
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide has a molecular weight of 201.62 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide is sourced from PubChem (CID 18926846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).