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

C10H16ClN5O2 — CID 62868206

IUPAC4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H16ClN5O2/c1-17-5-2-12-9-13-8(11)14-10(15-9)16-3-6-18-7-4-16/h2-7H2,1H3,(H,12,13,14,15)
InChIKeyOBYJESFURXGSJD-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.42
Rot. Bonds5

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

4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 62868206) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID62868206
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOCCNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C10H16ClN5O2/c1-17-5-2-12-9-13-8(11)14-10(15-9)16-3-6-18-7-4-16/h2-7H2,1H3,(H,12,13,14,15)
InChIKeyOBYJESFURXGSJD-UHFFFAOYSA-N
XLogP0.42
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-6-morpholin-4-yl-N-pent-4-ynyl-1,3,5-triazin-2-amine
CID 114160296
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
4-chloro-N-[(5-methylfuran-2-yl)methyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62864878
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784
4-chloro-6-morpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
CID 139072586
2-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,1-dimethylhydrazine
CID 83020025
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
4-chloro-N-(3-methylpentan-2-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62863402

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 62868206) is 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is COCCNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is OBYJESFURXGSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-17-5-2-12-9-13-8(11)14-10(15-9)16-3-6-18-7-4-16/h2-7H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 273.72 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).