4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen

C25H34FN5O4 — CID 142359372

IUPAC4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen
SMILESCC(C)Cc1ncc(F)cn1.CO.COc1cccc(OC)c1-n1c(C)nnc1-c1ccc(C)o1.[H][H]
InChIInChI=1S/C16H17N3O3.C8H11FN2.CH4O.H2/c1-10-8-9-14(22-10)16-18-17-11(2)19(16)15-12(20-3)6-5-7-13(15)21-4;1-6(2)3-8-10-4-7(9)5-11-8;1-2;/h5-9H,1-4H3;4-6H,3H2,1-2H3;2H,1H3;1H
InChIKeyGRRZUKBSQSHZMH-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.83
Rot. Bonds6

About 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen

4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen (PubChem CID 142359372) has the molecular formula C25H34FN5O4 and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen.

Molecular Properties

Compound Name4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen
PubChem CID142359372
Molecular FormulaC25H34FN5O4
Molecular Weight487.58 g/mol
Exact Mass487.26
IUPAC Name4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen
SMILESCC(C)Cc1ncc(F)cn1.CO.COc1cccc(OC)c1-n1c(C)nnc1-c1ccc(C)o1.[H][H]
InChIInChI=1S/C16H17N3O3.C8H11FN2.CH4O.H2/c1-10-8-9-14(22-10)16-18-17-11(2)19(16)15-12(20-3)6-5-7-13(15)21-4;1-6(2)3-8-10-4-7(9)5-11-8;1-2;/h5-9H,1-4H3;4-6H,3H2,1-2H3;2H,1H3;1H
InChIKeyGRRZUKBSQSHZMH-UHFFFAOYSA-N
XLogP4.83
TPSA108.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-(2,6-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-(trifluoromethyl)pyridine;5-fluoro-2-(2-methylpropyl)pyrimidine;molecular hydrogen
CID 145191231
4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;ethane;2-[(1S)-1-ethoxypropyl]-5-methylpyrimidine;molecular hydrogen
CID 142359205
ethane;5-fluoro-2-(2-methylpropyl)pyrimidine;2-methoxy-6-[4-(2-methoxy-6-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]pyridine
CID 145191614
2-[(2R,3R)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]butan-2-yl]-5-fluoropyrimidine
CID 159326921
3-bromo-4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazole
CID 134542777
(3S)-3-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methylsulfonyl]-4-(5-methylpyrimidin-2-yl)butan-1-ol
CID 159080912
(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-3-hydroxybutane-2-sulfonamide
CID 134542882
(2R,3S)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-3-(5-fluoropyrimidin-2-yl)-3-hydroxybutane-2-sulfonamide
CID 134543815
(E)-4-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]but-3-en-2-ol
CID 135340253
N-[4-(2,6-dimethoxyphenyl)-5-(5-ethylfuran-2-yl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 134542682
N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]thiohydroxylamine
CID 142359054
4-(2,6-dimethoxyphenyl)-N-[1-(5-fluoropyrimidin-2-yl)propan-2-ylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-3-amine
CID 134552282

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen?
The IUPAC name of 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen (CID 142359372) is 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen.
What is the SMILES notation for 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen?
The canonical SMILES for 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen is CC(C)Cc1ncc(F)cn1.CO.COc1cccc(OC)c1-n1c(C)nnc1-c1ccc(C)o1.[H][H].
What is the InChIKey of 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen?
The InChIKey is GRRZUKBSQSHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3.C8H11FN2.CH4O.H2/c1-10-8-9-14(22-10)16-18-17-11(2)19(16)15-12(20-3)6-5-7-13(15)21-4;1-6(2)3-8-10-4-7(9)5-11-8;1-2;/h5-9H,1-4H3;4-6H,3H2,1-2H3;2H,1H3;1H.
What are the key properties of 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen?
4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen has a molecular weight of 487.58 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxyphenyl)-3-methyl-5-(5-methylfuran-2-yl)-1,2,4-triazole;5-fluoro-2-(2-methylpropyl)pyrimidine;methanol;molecular hydrogen is sourced from PubChem (CID 142359372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).