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

C38H43FN8O4 — CID 66611162

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-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(C(C)(C)N4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C38H43FN8O4/c1-25-42-35(45-37(43-25)46(23-26-7-11-30(48-4)12-8-26)24-27-9-13-31(49-5)14-10-27)32-19-28(38(2,3)47-15-17-51-18-16-47)21-40-34(32)44-29-20-33(39)36(50-6)41-22-29/h7-14,19-22H,15-18,23-24H2,1-6H3,(H,40,44)
InChIKeyNVCHRVPBDCRKJO-UHFFFAOYSA-N
MW694.81 g/mol
LogP6.32
Rot. Bonds13

About 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-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-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66611162) has the molecular formula C38H43FN8O4 and a molecular weight of 694.81 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-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-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66611162
Molecular FormulaC38H43FN8O4
Molecular Weight694.81 g/mol
Exact Mass694.34
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-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(C(C)(C)N4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C38H43FN8O4/c1-25-42-35(45-37(43-25)46(23-26-7-11-30(48-4)12-8-26)24-27-9-13-31(49-5)14-10-27)32-19-28(38(2,3)47-15-17-51-18-16-47)21-40-34(32)44-29-20-33(39)36(50-6)41-22-29/h7-14,19-22H,15-18,23-24H2,1-6H3,(H,40,44)
InChIKeyNVCHRVPBDCRKJO-UHFFFAOYSA-N
XLogP6.32
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.81
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-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-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 66611162) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-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-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-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-(2-morpholin-4-ylpropan-2-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(C(C)(C)N4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is NVCHRVPBDCRKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43FN8O4/c1-25-42-35(45-37(43-25)46(23-26-7-11-30(48-4)12-8-26)24-27-9-13-31(49-5)14-10-27)32-19-28(38(2,3)47-15-17-51-18-16-47)21-40-34(32)44-29-20-33(39)36(50-6)41-22-29/h7-14,19-22H,15-18,23-24H2,1-6H3,(H,40,44).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(2-morpholin-4-ylpropan-2-yl)-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-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 694.81 g/mol, XLogP of 6.32, 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-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66611162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).