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

C19H20ClN5O — CID 155531067

IUPAC[2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25)
InChIKeyITJQCZIUBPLXKZ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.31
Rot. Bonds7

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

[2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (PubChem CID 155531067) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
PubChem CID155531067
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name[2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
SMILESNc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1
InChIInChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25)
InChIKeyITJQCZIUBPLXKZ-UHFFFAOYSA-N
XLogP3.31
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155558626
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-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The IUPAC name of [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol (CID 155531067) is [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The canonical SMILES for [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is Nc1nc(NCCCc2ccccc2)nc(-c2cc(Cl)ccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
The InChIKey is ITJQCZIUBPLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-15-9-8-14(12-26)16(11-15)17-23-18(21)25-19(24-17)22-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,26H,4,7,10,12H2,(H3,21,22,23,24,25).
What are the key properties of [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol?
[2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol has a molecular weight of 369.86 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol is sourced from PubChem (CID 155531067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).