1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine

C21H25N3O2 — CID 93488548

IUPAC1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESCOc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-25-19-11-9-18(10-12-19)24-16-23(14-20-8-5-13-26-20)15-22-21(24)17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m1/s1
InChIKeyLAFXFSAHCXEPKC-HXUWFJFHSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine

1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine (PubChem CID 93488548) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
PubChem CID93488548
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESCOc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1
InChIInChI=1S/C21H25N3O2/c1-25-19-11-9-18(10-12-19)24-16-23(14-20-8-5-13-26-20)15-22-21(24)17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m1/s1
InChIKeyLAFXFSAHCXEPKC-HXUWFJFHSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
CID 92759546
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865495
1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 666255
4-(4-methoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazin-6-one
CID 56689852
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
2-(4-methoxyphenyl)-6-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 93128101
4-[(4-methoxyphenoxy)methyl]-1-(oxolan-2-ylmethyl)triazole
CID 56935415
2-[[5-(4-methoxyphenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 7862241
3-benzyl-8-(4-methoxyphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 25341710
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
1-(4-methoxyphenyl)-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209523
3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,2,4-triazole
CID 4791135

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine (CID 93488548) is 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine is COc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is LAFXFSAHCXEPKC-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-25-19-11-9-18(10-12-19)24-16-23(14-20-8-5-13-26-20)15-22-21(24)17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/t20-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 351.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 93488548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).