4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol

C13H18N6O — CID 597554

IUPAC4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol
SMILESCN(C)c1nc(N)nc(C(N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)10(14)7-8-3-5-9(20)6-4-8/h3-6,10,20H,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIDBLUGMISZQLOG-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.47
Rot. Bonds4

About 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol

4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol (PubChem CID 597554) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol
PubChem CID597554
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol
SMILESCN(C)c1nc(N)nc(C(N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)10(14)7-8-3-5-9(20)6-4-8/h3-6,10,20H,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIDBLUGMISZQLOG-UHFFFAOYSA-N
XLogP0.47
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol?
The IUPAC name of 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol (CID 597554) is 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol is CN(C)c1nc(N)nc(C(N)Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol?
The InChIKey is IDBLUGMISZQLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)10(14)7-8-3-5-9(20)6-4-8/h3-6,10,20H,7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol?
4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol has a molecular weight of 274.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol is sourced from PubChem (CID 597554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).