4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

C36H33FN8O3 — CID 142788978

IUPAC4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(-c4cnc(OC)c(F)c4)c(-c4ccncc4)nc3N)n2)cc1
InChIInChI=1S/C36H33FN8O3/c1-22-41-34(30-18-29(26-17-31(37)35(48-4)40-19-26)32(43-33(30)38)25-13-15-39-16-14-25)44-36(42-22)45(20-23-5-9-27(46-2)10-6-23)21-24-7-11-28(47-3)12-8-24/h5-19H,20-21H2,1-4H3,(H2,38,43)
InChIKeyJABCMHNDZXAKGG-UHFFFAOYSA-N
MW644.71 g/mol
LogP6.32
Rot. Bonds11

About 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 142788978) has the molecular formula C36H33FN8O3 and a molecular weight of 644.71 g/mol. Its IUPAC name is 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID142788978
Molecular FormulaC36H33FN8O3
Molecular Weight644.71 g/mol
Exact Mass644.27
IUPAC Name4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(-c4cnc(OC)c(F)c4)c(-c4ccncc4)nc3N)n2)cc1
InChIInChI=1S/C36H33FN8O3/c1-22-41-34(30-18-29(26-17-31(37)35(48-4)40-19-26)32(43-33(30)38)25-13-15-39-16-14-25)44-36(42-22)45(20-23-5-9-27(46-2)10-6-23)21-24-7-11-28(47-3)12-8-24/h5-19H,20-21H2,1-4H3,(H2,38,43)
InChIKeyJABCMHNDZXAKGG-UHFFFAOYSA-N
XLogP6.32
TPSA134.29 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500644.71
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
7-(4-Methoxyphenyl)-5-phenylpyrido[2,3-d]pyrimidin-4-amine
CID 2817025
7-(4-Dimethylamino-phenyl)-6-(4-methoxy-phenyl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10270557
6-(3,4-Dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
CID 11488363
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-4-ylpyrimidin-4-amine
CID 11667189
6-isoquinolin-5-yl-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 11668164
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-pyridin-3-ylpyrimidin-4-amine
CID 53325827
5-(4-Amino-6-methyl-1,3,5-triazin-2-YL)-N-(6-methoxypyridin-3-YL)-6'-methyl-3,3'-bipyridin-6-amine
CID 59548274
6-(6-Methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-2-amine
CID 118321355
4-(4-Methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 2810255
US11420968, Example F42
CID 156069920

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 142788978) is 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(-c4cnc(OC)c(F)c4)c(-c4ccncc4)nc3N)n2)cc1.
What is the InChIKey of 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is JABCMHNDZXAKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33FN8O3/c1-22-41-34(30-18-29(26-17-31(37)35(48-4)40-19-26)32(43-33(30)38)25-13-15-39-16-14-25)44-36(42-22)45(20-23-5-9-27(46-2)10-6-23)21-24-7-11-28(47-3)12-8-24/h5-19H,20-21H2,1-4H3,(H2,38,43).
What are the key properties of 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 644.71 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(5-fluoro-6-methoxy-3-pyridinyl)-6-pyridin-4-yl-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 142788978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).