2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

C10H10ClN5O — CID 137035550

IUPAC2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyGNZSQZKPAPYMRR-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.52
Rot. Bonds2

About 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (PubChem CID 137035550) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
PubChem CID137035550
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCNc1nc(N)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16)
InChIKeyGNZSQZKPAPYMRR-UHFFFAOYSA-N
XLogP1.52
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The IUPAC name of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (CID 137035550) is 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.
What is the SMILES notation for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The canonical SMILES for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is CNc1nc(N)nc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The InChIKey is GNZSQZKPAPYMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-13-10-15-8(14-9(12)16-10)6-4-5(11)2-3-7(6)17/h2-4,17H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol has a molecular weight of 251.68 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is sourced from PubChem (CID 137035550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).