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

C14H18N4O — CID 175304898

IUPAC4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol
SMILESCCCCc1nc(N)nc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C14H18N4O/c1-2-3-4-12-16-13(18-14(15)17-12)9-10-5-7-11(19)8-6-10/h5-8,19H,2-4,9H2,1H3,(H2,15,16,17,18)
InChIKeyAWBNCQMWSILJDT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds5

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

4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol (PubChem CID 175304898) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol
PubChem CID175304898
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol
SMILESCCCCc1nc(N)nc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C14H18N4O/c1-2-3-4-12-16-13(18-14(15)17-12)9-10-5-7-11(19)8-6-10/h5-8,19H,2-4,9H2,1H3,(H2,15,16,17,18)
InChIKeyAWBNCQMWSILJDT-UHFFFAOYSA-N
XLogP2.09
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol?
The IUPAC name of 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol (CID 175304898) is 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol?
The canonical SMILES for 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol is CCCCc1nc(N)nc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol?
The InChIKey is AWBNCQMWSILJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-3-4-12-16-13(18-14(15)17-12)9-10-5-7-11(19)8-6-10/h5-8,19H,2-4,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol?
4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-butyl-1,3,5-triazin-2-yl)methyl]phenol is sourced from PubChem (CID 175304898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).