4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine

C7H11ClN4O — CID 86647058

IUPAC4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(C)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyUSMXEBPNXDGFDL-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.89
Rot. Bonds4

About 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine

4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 86647058) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID86647058
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(C)nc(Cl)n1
InChIInChI=1S/C7H11ClN4O/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H,9,10,11,12)
InChIKeyUSMXEBPNXDGFDL-UHFFFAOYSA-N
XLogP0.89
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-
CID 160779
4-Ethoxy-N-ethyl-6-methyl-1,3,5-triazin-2-amine
CID 21311
1,3,5-Triazin-2-amine, 4-butoxy-N-ethyl-6-methyl-
CID 21312
1,3,5-Triazin-2-amine, 4-(chloromethyl)-N-ethyl-6-methoxy-
CID 199906
1,3,5-Triazin-2-amine, 4-(chloromethyl)-6-ethoxy-N-ethyl-
CID 199907
4,6-dichloro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
CID 53816422
2-[[4-(2-Hydroxyethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethanol
CID 22225
1,3,5-Triazine-2,4-diamine, N-ethyl-6-methoxymethyl-N'-(1-methylethyl)-
CID 188779
(3-((4-Amino-6-methyl-1,3,5-triazin-2-yl)amino)-2-methoxypropyl)chloromercury
CID 11971882
6-(methoxymethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 129934264
Methyl-4,6-bis(isopropylamino)-1,3,5-triazine-2-carboximidate
CID 616932
2-Ethylamino-4-methoxy-6-methyl-1,3,5-triazine
CID 27858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine (CID 86647058) is 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine is COCCNc1nc(C)nc(Cl)n1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is USMXEBPNXDGFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-5-10-6(8)12-7(11-5)9-3-4-13-2/h3-4H2,1-2H3,(H,9,10,11,12).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 202.64 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 86647058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).