2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

C9H15ClN4O3 — CID 107866305

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H15ClN4O3/c1-3-9(4-15,5-16)14-7-11-6(10)12-8(13-7)17-2/h15-16H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyBHVSVSRUOWMXBV-UHFFFAOYSA-N
MW262.70 g/mol
LogP0.08
Rot. Bonds6

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866305) has the molecular formula C9H15ClN4O3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866305
Molecular FormulaC9H15ClN4O3
Molecular Weight262.70 g/mol
Exact Mass262.08
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1nc(Cl)nc(OC)n1
InChIInChI=1S/C9H15ClN4O3/c1-3-9(4-15,5-16)14-7-11-6(10)12-8(13-7)17-2/h15-16H,3-5H2,1-2H3,(H,11,12,13,14)
InChIKeyBHVSVSRUOWMXBV-UHFFFAOYSA-N
XLogP0.08
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol (CID 107866305) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is BHVSVSRUOWMXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3/c1-3-9(4-15,5-16)14-7-11-6(10)12-8(13-7)17-2/h15-16H,3-5H2,1-2H3,(H,11,12,13,14).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 262.70 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).