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

C36H41FN8O3 — CID 66612007

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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)NC(C)C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C36H41FN8O3/c1-22(2)40-23(3)27-16-31(33(38-18-27)43-28-17-32(37)35(48-7)39-19-28)34-41-24(4)42-36(44-34)45(20-25-8-12-29(46-5)13-9-25)21-26-10-14-30(47-6)15-11-26/h8-19,22-23,40H,20-21H2,1-7H3,(H,38,43)
InChIKeyUDUGJYAYQMMTSU-UHFFFAOYSA-N
MW652.78 g/mol
LogP6.81
Rot. Bonds14

About 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66612007) has the molecular formula C36H41FN8O3 and a molecular weight of 652.78 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66612007
Molecular FormulaC36H41FN8O3
Molecular Weight652.78 g/mol
Exact Mass652.33
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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)NC(C)C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
InChIInChI=1S/C36H41FN8O3/c1-22(2)40-23(3)27-16-31(33(38-18-27)43-28-17-32(37)35(48-7)39-19-28)34-41-24(4)42-36(44-34)45(20-25-8-12-29(46-5)13-9-25)21-26-10-14-30(47-6)15-11-26/h8-19,22-23,40H,20-21H2,1-7H3,(H,38,43)
InChIKeyUDUGJYAYQMMTSU-UHFFFAOYSA-N
XLogP6.81
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500652.78
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 66612007) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-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)NC(C)C)cnc3Nc3cnc(OC)c(F)c3)n2)cc1.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is UDUGJYAYQMMTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41FN8O3/c1-22(2)40-23(3)27-16-31(33(38-18-27)43-28-17-32(37)35(48-7)39-19-28)34-41-24(4)42-36(44-34)45(20-25-8-12-29(46-5)13-9-25)21-26-10-14-30(47-6)15-11-26/h8-19,22-23,40H,20-21H2,1-7H3,(H,38,43).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-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-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 652.78 g/mol, XLogP of 6.81, 14 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[1-(propan-2-ylamino)ethyl]-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66612007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).