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

C17H17N5O — CID 39791182

IUPAC[3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H17N5O/c18-16-20-15(14-8-4-7-13(9-14)11-23)21-17(22-16)19-10-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKeyRVKAHYFWSKSSQQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.23
Rot. Bonds5

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

[3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol (PubChem CID 39791182) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
PubChem CID39791182
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name[3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol
SMILESNc1nc(NCc2ccccc2)nc(-c2cccc(CO)c2)n1
InChIInChI=1S/C17H17N5O/c18-16-20-15(14-8-4-7-13(9-14)11-23)21-17(22-16)19-10-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22)
InChIKeyRVKAHYFWSKSSQQ-UHFFFAOYSA-N
XLogP2.23
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ogerin
CID 56707820
[2-[4-Amino-6-[(4-chlorophenyl)methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155511832
2-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599448
3-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]pentan-3-ol
CID 71599623
[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 117817092
2-[2-Fluoro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 118986952
[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-(Benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 155519260
[2-[4-Amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]methanol
CID 155524437

Frequently Asked Questions

What is the IUPAC name of [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The IUPAC name of [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol (CID 39791182) is [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The canonical SMILES for [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol is Nc1nc(NCc2ccccc2)nc(-c2cccc(CO)c2)n1.
What is the InChIKey of [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
The InChIKey is RVKAHYFWSKSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c18-16-20-15(14-8-4-7-13(9-14)11-23)21-17(22-16)19-10-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H3,18,19,20,21,22).
What are the key properties of [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol?
[3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol has a molecular weight of 307.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-amino-6-(benzylamino)-1,3,5-triazin-2-yl]phenyl]methanol is sourced from PubChem (CID 39791182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).