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

C8H13ClN4O2 — CID 62857388

IUPAC2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(Cl)nc(NC(C)CO)n1
InChIInChI=1S/C8H13ClN4O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyGHPNDIMXSOJHTA-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.72
Rot. Bonds5

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

2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 62857388) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID62857388
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESCCOc1nc(Cl)nc(NC(C)CO)n1
InChIInChI=1S/C8H13ClN4O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyGHPNDIMXSOJHTA-UHFFFAOYSA-N
XLogP0.72
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778446
4-chloro-6-ethoxy-N-hex-5-yn-3-yl-1,3,5-triazin-2-amine
CID 106195669
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 62865255
4-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62859055
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-methoxy-N-pentan-2-yl-1,3,5-triazin-2-amine
CID 62859139
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-N-pent-4-yn-2-yl-6-propoxy-1,3,5-triazin-2-amine
CID 106196004
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 62857388) is 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is CCOc1nc(Cl)nc(NC(C)CO)n1.
What is the InChIKey of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is GHPNDIMXSOJHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-3-15-8-12-6(9)11-7(13-8)10-5(2)4-14/h5,14H,3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol?
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 232.67 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 62857388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).