2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol

C25H26N2O4 — CID 136845465

IUPAC2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
SMILESCOc1ccc([C@@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1
InChIInChI=1S/C25H26N2O4/c1-29-17-10-8-16(9-11-17)25-26-21(19-6-4-5-7-23(19)28)15-22(27-25)20-14-18(30-2)12-13-24(20)31-3/h4-14,22,25,27-28H,15H2,1-3H3/t22-,25-/m1/s1
InChIKeyXLOIZIFVKKWIGH-RCZVLFRGSA-N
MW418.49 g/mol
LogP4.64
Rot. Bonds6

About 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol

2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol (PubChem CID 136845465) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
PubChem CID136845465
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
SMILESCOc1ccc([C@@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1
InChIInChI=1S/C25H26N2O4/c1-29-17-10-8-16(9-11-17)25-26-21(19-6-4-5-7-23(19)28)15-22(27-25)20-14-18(30-2)12-13-24(20)31-3/h4-14,22,25,27-28H,15H2,1-3H3/t22-,25-/m1/s1
InChIKeyXLOIZIFVKKWIGH-RCZVLFRGSA-N
XLogP4.64
TPSA72.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R,6S)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
CID 136845462
2-[2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 15996987
2-[(2R,6S)-2-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485497
2-[(2S,6S)-2-(2,5-dimethoxyphenyl)-4-(4-ethylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94794188
2-[(2R,6R)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485500
2-[(2R,6S)-2-(5-bromo-2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92698332
2-[(2S,6S)-2-(5-bromo-2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 92698331
4-bromo-2-[(2R,6R)-4-(3-methoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485702
2-[(2S,6S)-2-(3-bromo-4-fluorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94486289
4-chloro-2-[(2S,6S)-2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 94485508
2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-methoxyphenol
CID 20970160
4-chloro-2-[4-(4-methoxyphenyl)-2-(4-methylphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 20970158

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol (CID 136845465) is 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol is COc1ccc([C@@H]2N=C(c3ccccc3O)C[C@H](c3cc(OC)ccc3OC)N2)cc1.
What is the InChIKey of 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is XLOIZIFVKKWIGH-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-29-17-10-8-16(9-11-17)25-26-21(19-6-4-5-7-23(19)28)15-22(27-25)20-14-18(30-2)12-13-24(20)31-3/h4-14,22,25,27-28H,15H2,1-3H3/t22-,25-/m1/s1.
What are the key properties of 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol?
2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 418.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-6-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 136845465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).