1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione

C29H32N6O5 — CID 25105963

IUPAC1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3N3CCOCC3)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C29H32N6O5/c1-38-24-9-5-21(6-10-24)19-34-27(31-18-23-4-3-13-30-26(23)33-14-16-40-17-15-33)32-28(36)35(29(34)37)20-22-7-11-25(39-2)12-8-22/h3-13H,14-20H2,1-2H3,(H,31,32,36)
InChIKeyCODDXMUYMAOSHM-UHFFFAOYSA-N
MW544.61 g/mol
LogP2.36
Rot. Bonds10

About 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione

1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione (PubChem CID 25105963) has the molecular formula C29H32N6O5 and a molecular weight of 544.61 g/mol. Its IUPAC name is 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
PubChem CID25105963
Molecular FormulaC29H32N6O5
Molecular Weight544.61 g/mol
Exact Mass544.24
IUPAC Name1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3N3CCOCC3)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C29H32N6O5/c1-38-24-9-5-21(6-10-24)19-34-27(31-18-23-4-3-13-30-26(23)33-14-16-40-17-15-33)32-28(36)35(29(34)37)20-22-7-11-25(39-2)12-8-22/h3-13H,14-20H2,1-2H3,(H,31,32,36)
InChIKeyCODDXMUYMAOSHM-UHFFFAOYSA-N
XLogP2.36
TPSA112.74 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861818
6-[(2-amino-3-pyridinyl)methylamino]-3-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;6-[(2-amino-3-pyridinyl)methylamino]-3-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione;oxolane
CID 158154481
6-[(2-amino-3-pyridinyl)methylamino]-3-[(4-methoxy-3-nitrophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 56596404
3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-[2-[2-(propylamino)-3-pyridinyl]ethylamino]-1,3,5-triazine-2,4-dione
CID 24861755
6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861686
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051072
4-(4-methoxyphenyl)-N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111242927
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
3-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-nitroaniline
CID 122142010
2-(4-methoxyphenyl)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 51093870

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione (CID 25105963) is 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione is COc1ccc(Cn2c(NCc3cccnc3N3CCOCC3)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione?
The InChIKey is CODDXMUYMAOSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O5/c1-38-24-9-5-21(6-10-24)19-34-27(31-18-23-4-3-13-30-26(23)33-14-16-40-17-15-33)32-28(36)35(29(34)37)20-22-7-11-25(39-2)12-8-22/h3-13H,14-20H2,1-2H3,(H,31,32,36).
What are the key properties of 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione?
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione has a molecular weight of 544.61 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 25105963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).