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

C17H16ClN5O — CID 155511832

IUPAC[2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(Cl)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyYBSDSAUOKIJKQV-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.88
Rot. Bonds5

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

[2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 155511832) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID155511832
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name[2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccc(Cl)cc2)nc(-c2ccccc2CO)n1
InChIInChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23)
InChIKeyYBSDSAUOKIJKQV-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

Analyze [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol with MolForge

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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
Ogerin negative control
CID 39791182
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-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155531067
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155558626
[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-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol (CID 155511832) is [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccc(Cl)cc2)nc(-c2ccccc2CO)n1.
What is the InChIKey of [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is YBSDSAUOKIJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-13-7-5-11(6-8-13)9-20-17-22-15(21-16(19)23-17)14-4-2-1-3-12(14)10-24/h1-8,24H,9-10H2,(H3,19,20,21,22,23).
What are the key properties of [2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol?
[2-[4-amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]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-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 155511832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).