2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

C12H13Cl2N5O2 — CID 3152648

IUPAC2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-21-9-3-2-7(13)6-8(9)16-12-18-10(14)17-11(19-12)15-4-5-20/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18,19)
InChIKeyMNIKBPBRQGFQCR-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.33
Rot. Bonds6

About 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 3152648) has the molecular formula C12H13Cl2N5O2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID3152648
Molecular FormulaC12H13Cl2N5O2
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESCOc1ccc(Cl)cc1Nc1nc(Cl)nc(NCCO)n1
InChIInChI=1S/C12H13Cl2N5O2/c1-21-9-3-2-7(13)6-8(9)16-12-18-10(14)17-11(19-12)15-4-5-20/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18,19)
InChIKeyMNIKBPBRQGFQCR-UHFFFAOYSA-N
XLogP2.33
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.33
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-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol (CID 3152648) is 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is COc1ccc(Cl)cc1Nc1nc(Cl)nc(NCCO)n1.
What is the InChIKey of 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is MNIKBPBRQGFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O2/c1-21-9-3-2-7(13)6-8(9)16-12-18-10(14)17-11(19-12)15-4-5-20/h2-3,6,20H,4-5H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-chloro-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 330.18 g/mol, XLogP of 2.33, 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-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 3152648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).