3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one

C19H19N5O2 — CID 58041718

IUPAC3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one
SMILESCc1ccccc1Nc1nc(N)nc(CCC(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C19H19N5O2/c1-12-4-2-3-5-15(12)21-19-23-17(22-18(20)24-19)11-10-16(26)13-6-8-14(25)9-7-13/h2-9,25H,10-11H2,1H3,(H3,20,21,22,23,24)
InChIKeyZHXPXUFQBXUMGU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.03
Rot. Bonds6

About 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one

3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one (PubChem CID 58041718) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one
PubChem CID58041718
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one
SMILESCc1ccccc1Nc1nc(N)nc(CCC(=O)c2ccc(O)cc2)n1
InChIInChI=1S/C19H19N5O2/c1-12-4-2-3-5-15(12)21-19-23-17(22-18(20)24-19)11-10-16(26)13-6-8-14(25)9-7-13/h2-9,25H,10-11H2,1H3,(H3,20,21,22,23,24)
InChIKeyZHXPXUFQBXUMGU-UHFFFAOYSA-N
XLogP3.03
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one (CID 58041718) is 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one is Cc1ccccc1Nc1nc(N)nc(CCC(=O)c2ccc(O)cc2)n1.
What is the InChIKey of 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one?
The InChIKey is ZHXPXUFQBXUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-12-4-2-3-5-15(12)21-19-23-17(22-18(20)24-19)11-10-16(26)13-6-8-14(25)9-7-13/h2-9,25H,10-11H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one?
3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one has a molecular weight of 349.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]-1-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 58041718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).