1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol

C9H16ClN5O2 — CID 113430529

IUPAC1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
SMILESCOc1nc(Cl)nc(NCCNCC(C)O)n1
InChIInChI=1S/C9H16ClN5O2/c1-6(16)5-11-3-4-12-8-13-7(10)14-9(15-8)17-2/h6,11,16H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyCJKWVMJJQKHTKA-UHFFFAOYSA-N
MW261.71 g/mol
LogP-0.08
Rot. Bonds7

About 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol

1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol (PubChem CID 113430529) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
PubChem CID113430529
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Name1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol
SMILESCOc1nc(Cl)nc(NCCNCC(C)O)n1
InChIInChI=1S/C9H16ClN5O2/c1-6(16)5-11-3-4-12-8-13-7(10)14-9(15-8)17-2/h6,11,16H,3-5H2,1-2H3,(H,12,13,14,15)
InChIKeyCJKWVMJJQKHTKA-UHFFFAOYSA-N
XLogP-0.08
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol with MolForge

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Related Compounds

1-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594186
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylbutanoic acid
CID 80539533
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanoic acid
CID 62857957
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
3-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83113419
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
CID 175413683
CID 175413683
4-chloro-6-methoxy-N-(2-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62859494
4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242631

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol (CID 113430529) is 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol is COc1nc(Cl)nc(NCCNCC(C)O)n1.
What is the InChIKey of 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol?
The InChIKey is CJKWVMJJQKHTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2/c1-6(16)5-11-3-4-12-8-13-7(10)14-9(15-8)17-2/h6,11,16H,3-5H2,1-2H3,(H,12,13,14,15).
What are the key properties of 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol?
1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol has a molecular weight of 261.71 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethylamino]propan-2-ol is sourced from PubChem (CID 113430529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).