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

C17H16ClN5O — CID 155567928

IUPAC[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2CO)n1
InChIInChI=1S/C17H16ClN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyAQZNOVKKFJXMPQ-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.88
Rot. Bonds5

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

[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol (PubChem CID 155567928) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol
PubChem CID155567928
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2CO)n1
InChIInChI=1S/C17H16ClN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyAQZNOVKKFJXMPQ-UHFFFAOYSA-N
XLogP2.88
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.88
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]-5-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol (CID 155567928) is [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol is Nc1nc(NCc2ccccc2)nc(-c2ccc(Cl)cc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol?
The InChIKey is AQZNOVKKFJXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-6-7-14(12(8-13)10-24)15-21-16(19)23-17(22-15)20-9-11-4-2-1-3-5-11/h1-8,24H,9-10H2,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol?
[2-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]-5-chlorophenyl]methanol has a molecular weight of 341.80 g/mol, XLogP of 2.88, 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]-5-chlorophenyl]methanol is sourced from PubChem (CID 155567928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).