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

C37H41FN8O4 — CID 66611333

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-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(CN4CCOC[C@@H]4C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C37H41FN8O4/c1-24-23-50-15-14-45(24)22-28-16-32(34(39-18-28)43-29-17-33(38)36(49-5)40-19-29)35-41-25(2)42-37(44-35)46(20-26-6-10-30(47-3)11-7-26)21-27-8-12-31(48-4)13-9-27/h6-13,16-19,24H,14-15,20-23H2,1-5H3,(H,39,43)/t24-/m0/s1
InChIKeyJIWYAQRQAWQCBY-DEOSSOPVSA-N
MW680.79 g/mol
LogP5.97
Rot. Bonds13

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66611333) has the molecular formula C37H41FN8O4 and a molecular weight of 680.79 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66611333
Molecular FormulaC37H41FN8O4
Molecular Weight680.79 g/mol
Exact Mass680.32
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-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(CN4CCOC[C@@H]4C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C37H41FN8O4/c1-24-23-50-15-14-45(24)22-28-16-32(34(39-18-28)43-29-17-33(38)36(49-5)40-19-29)35-41-25(2)42-37(44-35)46(20-26-6-10-30(47-3)11-7-26)21-27-8-12-31(48-4)13-9-27/h6-13,16-19,24H,14-15,20-23H2,1-5H3,(H,39,43)/t24-/m0/s1
InChIKeyJIWYAQRQAWQCBY-DEOSSOPVSA-N
XLogP5.97
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.79
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 66611333) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-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(CN4CCOC[C@@H]4C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is JIWYAQRQAWQCBY-DEOSSOPVSA-N. The full InChI is InChI=1S/C37H41FN8O4/c1-24-23-50-15-14-45(24)22-28-16-32(34(39-18-28)43-29-17-33(38)36(49-5)40-19-29)35-41-25(2)42-37(44-35)46(20-26-6-10-30(47-3)11-7-26)21-27-8-12-31(48-4)13-9-27/h6-13,16-19,24H,14-15,20-23H2,1-5H3,(H,39,43)/t24-/m0/s1.
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 680.79 g/mol, XLogP of 5.97, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).