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

C18H18ClN5O — CID 155558626

IUPAC[2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24)
InChIKeyAKTDDKKTCGVQOO-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.92
Rot. Bonds6

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

[2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (PubChem CID 155558626) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
PubChem CID155558626
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name[2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24)
InChIKeyAKTDDKKTCGVQOO-UHFFFAOYSA-N
XLogP2.92
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ogerin
CID 56707820
2-[2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71580293
2-[2-Chloro-5-[4-(fluoromethoxy)-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599710
2-[2-Chloro-5-[4-[dideuterio(fluoro)methoxy]-6-[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 72946872
[2-[4-Amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155511832
[2-[4-Amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155531067
2-{4-Amino-6-[(2-phenylethyl)amino]-1,3,5-triazin-2-yl}-4-chlorophenol
CID 826991
[2-[4-Amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155512389
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 155515769
[2-[4-Amino-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]-3-fluorophenyl]methanol
CID 155515820
[2-[4-Amino-6-[(4-methylphenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155517559
[2-[4-Amino-6-(benzylamino)-1,3,5-triazin-2-yl]-3-chlorophenyl]methanol
CID 155519132

Frequently Asked Questions

What is the IUPAC name of [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (CID 155558626) is [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The InChIKey is AKTDDKKTCGVQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-7-6-13(11-25)15(10-14)16-22-17(20)24-18(23-16)21-9-8-12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H3,20,21,22,23,24).
What are the key properties of [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
[2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol has a molecular weight of 355.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is sourced from PubChem (CID 155558626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).