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

C37H42N8O4 — CID 59548161

IUPACN,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOC[C@@H]4C)cnc3Nc3ccc(OC)nc3)n2)cc1
InChIInChI=1S/C37H42N8O4/c1-25-24-49-17-16-44(25)23-29-18-33(35(39-19-29)42-30-10-15-34(48-5)38-20-30)36-40-26(2)41-37(43-36)45(21-27-6-11-31(46-3)12-7-27)22-28-8-13-32(47-4)14-9-28/h6-15,18-20,25H,16-17,21-24H2,1-5H3,(H,39,42)/t25-/m0/s1
InChIKeySGVGQVLUCLHTFP-VWLOTQADSA-N
MW662.80 g/mol
LogP5.83
Rot. Bonds13

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

N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548161) has the molecular formula C37H42N8O4 and a molecular weight of 662.80 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548161
Molecular FormulaC37H42N8O4
Molecular Weight662.80 g/mol
Exact Mass662.33
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOC[C@@H]4C)cnc3Nc3ccc(OC)nc3)n2)cc1
InChIInChI=1S/C37H42N8O4/c1-25-24-49-17-16-44(25)23-29-18-33(35(39-19-29)42-30-10-15-34(48-5)38-20-30)36-40-26(2)41-37(43-36)45(21-27-6-11-31(46-3)12-7-27)22-28-8-13-32(47-4)14-9-28/h6-15,18-20,25H,16-17,21-24H2,1-5H3,(H,39,42)/t25-/m0/s1
InChIKeySGVGQVLUCLHTFP-VWLOTQADSA-N
XLogP5.83
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548161) is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOC[C@@H]4C)cnc3Nc3ccc(OC)nc3)n2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is SGVGQVLUCLHTFP-VWLOTQADSA-N. The full InChI is InChI=1S/C37H42N8O4/c1-25-24-49-17-16-44(25)23-29-18-33(35(39-19-29)42-30-10-15-34(48-5)38-20-30)36-40-26(2)41-37(43-36)45(21-27-6-11-31(46-3)12-7-27)22-28-8-13-32(47-4)14-9-28/h6-15,18-20,25H,16-17,21-24H2,1-5H3,(H,39,42)/t25-/m0/s1.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 662.80 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[[(3S)-3-methylmorpholin-4-yl]methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).