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

C25H27N7O4 — CID 24861686

IUPAC6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3ncc(C)nc3N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H27N7O4/c1-16-12-27-21(22(26)29-16)13-28-23-30-24(33)32(15-18-6-10-20(36-3)11-7-18)25(34)31(23)14-17-4-8-19(35-2)9-5-17/h4-12H,13-15H2,1-3H3,(H2,26,29)(H,28,30,33)
InChIKeyMSZTZXUNYZXQJQ-UHFFFAOYSA-N
MW489.54 g/mol
LogP1.81
Rot. Bonds9

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

6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 24861686) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID24861686
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Name6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCc3ncc(C)nc3N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C25H27N7O4/c1-16-12-27-21(22(26)29-16)13-28-23-30-24(33)32(15-18-6-10-20(36-3)11-7-18)25(34)31(23)14-17-4-8-19(35-2)9-5-17/h4-12H,13-15H2,1-3H3,(H2,26,29)(H,28,30,33)
InChIKeyMSZTZXUNYZXQJQ-UHFFFAOYSA-N
XLogP1.81
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(dimethylamino)ethylamino]-3-pyridinyl]methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861818
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
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
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
2-[2-[[5-[(4-iodophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677480
2-[2-[[5-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine;2-[2-[[1-[(4-methoxyphenyl)methyl]-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 157365685
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-cyclohexyl-2-[2-[[5-[(3,4-dichlorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 56595923
6-[(2-amino-4,6-dimethyl-3-pyridinyl)methylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861600
6-[(2-amino-3-pyridinyl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 24861801

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (CID 24861686) is 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is COc1ccc(Cn2c(NCc3ncc(C)nc3N)nc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is MSZTZXUNYZXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-16-12-27-21(22(26)29-16)13-28-23-30-24(33)32(15-18-6-10-20(36-3)11-7-18)25(34)31(23)14-17-4-8-19(35-2)9-5-17/h4-12H,13-15H2,1-3H3,(H2,26,29)(H,28,30,33).
What are the key properties of 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 489.54 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 24861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).