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

C9H15ClN4O2 — CID 62864552

IUPAC1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCCCOc1nc(Cl)nc(NCC(C)O)n1
InChIInChI=1S/C9H15ClN4O2/c1-3-4-16-9-13-7(10)12-8(14-9)11-5-6(2)15/h6,15H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyVUIMIRUZODOMPW-UHFFFAOYSA-N
MW246.70 g/mol
LogP1.11
Rot. Bonds6

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

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol (PubChem CID 62864552) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
PubChem CID62864552
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
SMILESCCCOc1nc(Cl)nc(NCC(C)O)n1
InChIInChI=1S/C9H15ClN4O2/c1-3-4-16-9-13-7(10)12-8(14-9)11-5-6(2)15/h6,15H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyVUIMIRUZODOMPW-UHFFFAOYSA-N
XLogP1.11
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-chloro-6-propoxy-N-(2,3,3-trimethylbutyl)-1,3,5-triazin-2-amine
CID 83144392
4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107817648
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66172881
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
N-(2-bromoprop-2-enyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 106195557
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
6-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 114009389
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-2,2-dimethylpropanamide
CID 106279495
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]ethyl carbamate
CID 83204945
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol (CID 62864552) is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol is CCCOc1nc(Cl)nc(NCC(C)O)n1.
What is the InChIKey of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol?
The InChIKey is VUIMIRUZODOMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-3-4-16-9-13-7(10)12-8(14-9)11-5-6(2)15/h6,15H,3-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol?
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol has a molecular weight of 246.70 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 62864552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).