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

C16H15N5O — CID 155540592

IUPAC[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
SMILESNc1nc(Nc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C16H15N5O/c17-15-19-14(13-9-5-4-6-11(13)10-22)20-16(21-15)18-12-7-2-1-3-8-12/h1-9,22H,10H2,(H3,17,18,19,20,21)
InChIKeyCGTJWKRPSFTZJS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.36
Rot. Bonds4

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

[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol (PubChem CID 155540592) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
PubChem CID155540592
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
SMILESNc1nc(Nc2ccccc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C16H15N5O/c17-15-19-14(13-9-5-4-6-11(13)10-22)20-16(21-15)18-12-7-2-1-3-8-12/h1-9,22H,10H2,(H3,17,18,19,20,21)
InChIKeyCGTJWKRPSFTZJS-UHFFFAOYSA-N
XLogP2.36
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.36
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-anilino-1,3,5-triazin-2-yl)phenyl]methanol?
The IUPAC name of [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol (CID 155540592) is [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol?
The canonical SMILES for [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol is Nc1nc(Nc2ccccc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol?
The InChIKey is CGTJWKRPSFTZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-15-19-14(13-9-5-4-6-11(13)10-22)20-16(21-15)18-12-7-2-1-3-8-12/h1-9,22H,10H2,(H3,17,18,19,20,21).
What are the key properties of [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol?
[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol has a molecular weight of 293.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol is sourced from PubChem (CID 155540592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).