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

C29H35N7O4 — CID 24861818

IUPAC6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3NCCN(C)C)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C29H35N7O4/c1-34(2)17-16-31-26-23(6-5-15-30-26)18-32-27-33-28(37)36(20-22-9-13-25(40-4)14-10-22)29(38)35(27)19-21-7-11-24(39-3)12-8-21/h5-15H,16-20H2,1-4H3,(H,30,31)(H,32,33,37)
InChIKeyXSYQALWVEPNGNU-UHFFFAOYSA-N
MW545.64 g/mol
LogP2.50
Rot. Bonds13

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

6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 24861818) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID24861818
Molecular FormulaC29H35N7O4
Molecular Weight545.64 g/mol
Exact Mass545.28
IUPAC Name6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3cccnc3NCCN(C)C)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C29H35N7O4/c1-34(2)17-16-31-26-23(6-5-15-30-26)18-32-27-33-28(37)36(20-22-9-13-25(40-4)14-10-22)29(38)35(27)19-21-7-11-24(39-3)12-8-21/h5-15H,16-20H2,1-4H3,(H,30,31)(H,32,33,37)
InChIKeyXSYQALWVEPNGNU-UHFFFAOYSA-N
XLogP2.50
TPSA115.54 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-6-[2-[2-(propylamino)-3-pyridinyl]ethylamino]-1,3,5-triazine-2,4-dione
CID 24861755
1,3-bis[(4-methoxyphenyl)methyl]-6-[(2-morpholin-4-yl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 25105963
6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861734
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
6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861686
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]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801
5-[(3-ethyl-2-pyridinyl)amino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 154709738
2-[2-[[5-[(4-iodophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677480
3-[(2,6-difluoro-4-methoxyphenyl)methyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-6-[(4,6-dimethyl-3-pyridinyl)methylamino]-1,3,5-triazine-2,4-dione
CID 56595724
1-[(4-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)-3-pyridinyl]methylimino]-5-[(4-methoxyphenyl)methyl]-6-methylidene-1,3,5-triazinan-2-one
CID 136960321
6-[2-(2-amino-3-pyridinyl)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (CID 24861818) is 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is COc1ccc(Cn2c(NCc3cccnc3NCCN(C)C)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is XSYQALWVEPNGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-34(2)17-16-31-26-23(6-5-15-30-26)18-32-27-33-28(37)36(20-22-9-13-25(40-4)14-10-22)29(38)35(27)19-21-7-11-24(39-3)12-8-21/h5-15H,16-20H2,1-4H3,(H,30,31)(H,32,33,37).
What are the key properties of 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 545.64 g/mol, XLogP of 2.50, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[2-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 24861818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).