6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

C5H8ClN5 — CID 17987

IUPAC6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C5H8ClN5/c1-7-4-9-3(6)10-5(8-2)11-4/h1-2H3,(H2,7,8,9,10,11)
InChIKeyJSAYULRNXVSYHK-UHFFFAOYSA-N
MW173.61 g/mol
LogP0.61
Rot. Bonds2

About 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17987) has the molecular formula C5H8ClN5 and a molecular weight of 173.61 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17987
Molecular FormulaC5H8ClN5
Molecular Weight173.61 g/mol
Exact Mass173.05
IUPAC Name6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C5H8ClN5/c1-7-4-9-3(6)10-5(8-2)11-4/h1-2H3,(H2,7,8,9,10,11)
InChIKeyJSAYULRNXVSYHK-UHFFFAOYSA-N
XLogP0.61
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.61
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pentamethylmelamine
CID 27775
2,4,6-Trimethylmelamine
CID 17804
N,N-Dimethylmelamine
CID 16134
Pentamethylmelamine hydrochloride
CID 147623
2,2,4,6-Tetramethylmelamine
CID 27774
Melamine, methyl-
CID 26029
2-Dimethylamino-4-methylamino-6-amino-1,3,5-triazine
CID 197943
4,6-dichloro-N-methyl-1,3,5-triazin-2-amine
CID 312201
N2,N2,N4,N4-Tetramethyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 541518
2-Amino-4,6-bis(dimethylamino)-1,3,5-triazine
CID 17805
1,3,5-Triazine-2,4,6-triamine, N,N'-dimethyl-
CID 11469186
s-Triazine, 2-amino-4-dimethylamino-6-methylamino-, hydrochloride
CID 204415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17987) is 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JSAYULRNXVSYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN5/c1-7-4-9-3(6)10-5(8-2)11-4/h1-2H3,(H2,7,8,9,10,11).
What are the key properties of 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 173.61 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).