6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

C10H18ClN5O — CID 81061963

IUPAC6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCN(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-5-17-7-6-16(4)10-13-8(11)12-9(14-10)15(2)3/h5-7H2,1-4H3
InChIKeyNKTUKGNASXILIA-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.06
Rot. Bonds6

About 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 81061963) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
PubChem CID81061963
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
SMILESCCOCCN(C)c1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C10H18ClN5O/c1-5-17-7-6-16(4)10-13-8(11)12-9(14-10)15(2)3/h5-7H2,1-4H3
InChIKeyNKTUKGNASXILIA-UHFFFAOYSA-N
XLogP1.06
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
1-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]propan-2-ol
CID 62864855
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
4-chloro-6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124099
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
4-N-butyl-6-chloro-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 62870530
6-chloro-2-N-[2-(dimethylamino)ethyl]-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 62864502
6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80852697
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine (CID 81061963) is 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is CCOCCN(C)c1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NKTUKGNASXILIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-5-17-7-6-16(4)10-13-8(11)12-9(14-10)15(2)3/h5-7H2,1-4H3.
What are the key properties of 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81061963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).