6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione

C17H21FN4O4 — CID 170235808

IUPAC6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NCc2cc(OC3CCOC3)ccc2F)[nH]c1=O
InChIInChI=1S/C17H21FN4O4/c1-10(2)22-16(23)20-15(21-17(22)24)19-8-11-7-12(3-4-14(11)18)26-13-5-6-25-9-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H2,19,20,21,23,24)
InChIKeyNDBYQUCUQLUMQG-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.43
Rot. Bonds6

About 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione

6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione (PubChem CID 170235808) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione
PubChem CID170235808
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione
SMILESCC(C)n1c(=O)nc(NCc2cc(OC3CCOC3)ccc2F)[nH]c1=O
InChIInChI=1S/C17H21FN4O4/c1-10(2)22-16(23)20-15(21-17(22)24)19-8-11-7-12(3-4-14(11)18)26-13-5-6-25-9-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H2,19,20,21,23,24)
InChIKeyNDBYQUCUQLUMQG-UHFFFAOYSA-N
XLogP1.43
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione with MolForge

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Related Compounds

US20240010639, Example 1
CID 163366563
US20240010639, Example 2
CID 171034302
US20240262804, Example 171
CID 172430317
US20240010639, Example 3
CID 171034303
1-[(4-Fluorophenyl)methyl]-6-[2-(4-phenoxyphenyl)ethylamino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578633
1-[(4-Fluorophenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578658
1-[(4-Fluorophenyl)methyl]-6-[(3-methoxyphenyl)methylamino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578824
1-[(4-Fluorophenyl)methyl]-3-propan-2-yl-6-[(4-propan-2-yloxyphenyl)methylamino]-1,3,5-triazine-2,4-dione
CID 58578886
1-[(4-Fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-3-propan-2-yl-1,3,5-triazine-2,4-dione
CID 58578912
1-Heptan-2-yl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 60546856
1-[7-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]heptyl]-1,3,5-triazine-2,4-dione
CID 134558998
tert-butyl N-[[3-(2-fluoroethoxy)phenyl]methyl]-N-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 140553041

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione (CID 170235808) is 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione is CC(C)n1c(=O)nc(NCc2cc(OC3CCOC3)ccc2F)[nH]c1=O.
What is the InChIKey of 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione?
The InChIKey is NDBYQUCUQLUMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-10(2)22-16(23)20-15(21-17(22)24)19-8-11-7-12(3-4-14(11)18)26-13-5-6-25-9-13/h3-4,7,10,13H,5-6,8-9H2,1-2H3,(H2,19,20,21,23,24).
What are the key properties of 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione?
6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione has a molecular weight of 364.38 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-5-(oxolan-3-yloxy)phenyl]methylamino]-3-propan-2-yl-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 170235808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).