[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol

C17H17N5O — CID 56707820

IUPAC[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKeyMDGIEDNDSFMSLP-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.23
Rot. Bonds5

About [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol

[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 56707820) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID56707820
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKeyMDGIEDNDSFMSLP-UHFFFAOYSA-N
XLogP2.23
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.23
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-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol (CID 56707820) is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccccc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is MDGIEDNDSFMSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-20-15(14-9-5-4-8-13(14)11-23)21-17(22-16)19-10-12-6-2-1-3-7-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22).
What are the key properties of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 307.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 56707820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).