6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione

C25H25FN6O3 — CID 24861734

IUPAC6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCCc3cccnc3N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C25H25FN6O3/c1-35-21-10-6-18(7-11-21)15-31-23(29-14-12-19-3-2-13-28-22(19)27)30-24(33)32(25(31)34)16-17-4-8-20(26)9-5-17/h2-11,13H,12,14-16H2,1H3,(H2,27,28)(H,29,30,33)
InChIKeyBRHRJRWHVLOADV-UHFFFAOYSA-N
MW476.51 g/mol
LogP2.28
Rot. Bonds9

About 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione

6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (PubChem CID 24861734) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
PubChem CID24861734
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
SMILESCOc1ccc(Cn2c(NCCc3cccnc3N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C25H25FN6O3/c1-35-21-10-6-18(7-11-21)15-31-23(29-14-12-19-3-2-13-28-22(19)27)30-24(33)32(25(31)34)16-17-4-8-20(26)9-5-17/h2-11,13H,12,14-16H2,1H3,(H2,27,28)(H,29,30,33)
InChIKeyBRHRJRWHVLOADV-UHFFFAOYSA-N
XLogP2.28
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(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
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-[[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)ethyl]-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 56639619
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-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
6-[(3-amino-5-methylpyrazin-2-yl)methylamino]-1,3-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione
CID 24861686
2,2,2-trifluoro-N-[1-[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]benzimidazol-2-yl]acetamide
CID 42605737
6-[2-(2-amino-7-methoxy-4H-quinazolin-3-yl)ethylamino]-1-[[4-(difluoromethoxy)phenyl]methyl]-3-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 42606782
2-[2-[[5-[(4-iodophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]ethyl]guanidine
CID 90677480
tert-butyl (NE)-N-[amino-[[2-[[5-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]acetyl]amino]methylidene]carbamate
CID 59550708

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione (CID 24861734) is 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is COc1ccc(Cn2c(NCCc3cccnc3N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
The InChIKey is BRHRJRWHVLOADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-35-21-10-6-18(7-11-21)15-31-23(29-14-12-19-3-2-13-28-22(19)27)30-24(33)32(25(31)34)16-17-4-8-20(26)9-5-17/h2-11,13H,12,14-16H2,1H3,(H2,27,28)(H,29,30,33).
What are the key properties of 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione?
6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione has a molecular weight of 476.51 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-amino-3-pyridinyl)ethylamino]-3-[(4-fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 24861734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).