(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol

C10H11N5O — CID 117058513

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
SMILESNc1nc(CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(6-16)14-10(15-9)12-7-4-2-1-3-5-7/h1-5,16H,6H2,(H3,11,12,13,14,15)
InChIKeyXLACMPMLSZWIAM-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.69
Rot. Bonds3

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol

(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol (PubChem CID 117058513) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
PubChem CID117058513
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
SMILESNc1nc(CO)nc(Nc2ccccc2)n1
InChIInChI=1S/C10H11N5O/c11-9-13-8(6-16)14-10(15-9)12-7-4-2-1-3-5-7/h1-5,16H,6H2,(H3,11,12,13,14,15)
InChIKeyXLACMPMLSZWIAM-UHFFFAOYSA-N
XLogP0.69
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
CID 175988761
[2-(4-amino-6-anilino-1,3,5-triazin-2-yl)phenyl]methanol
CID 155540592
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate
CID 7593681
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-iodobenzoate
CID 28559006
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylbenzoate
CID 7778559
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 46821928
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
6-[(3,5-dimethylpiperidin-1-ium-1-yl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 5082356

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol (CID 117058513) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol is Nc1nc(CO)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol?
The InChIKey is XLACMPMLSZWIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-9-13-8(6-16)14-10(15-9)12-7-4-2-1-3-5-7/h1-5,16H,6H2,(H3,11,12,13,14,15).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol has a molecular weight of 217.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methanol is sourced from PubChem (CID 117058513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).