2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

C25H25FN2O3 — CID 5073441

IUPAC2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCCOc1cccc(C2C=C(c3cccc(OC)c3)NC(c3ccccc3F)N2)c1O
InChIInChI=1S/C25H25FN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-15,22,25,27-29H,3H2,1-2H3
InChIKeyPZXAHYNFALYUDC-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.91
Rot. Bonds6

About 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 5073441) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
PubChem CID5073441
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
SMILESCCOc1cccc(C2C=C(c3cccc(OC)c3)NC(c3ccccc3F)N2)c1O
InChIInChI=1S/C25H25FN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-15,22,25,27-29H,3H2,1-2H3
InChIKeyPZXAHYNFALYUDC-UHFFFAOYSA-N
XLogP4.91
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5187175
2-[6-(4-bromophenyl)-2-(2-ethoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3561269
2-[6-(3-bromophenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 5196541
2-[6-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3435694
2-[2-(2-chlorophenyl)-6-(4-ethylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]-6-ethoxyphenol
CID 3643481
2-[2-(4-chlorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
CID 5012351
2-ethoxy-6-[6-(4-ethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5073453
2-[6-(4-chlorophenyl)-2-(2-fluorophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]-6-ethoxyphenol
CID 5073305
2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
CID 20970274
5-(3,4-difluorophenyl)-7-ethoxy-2-(3-methoxyphenyl)-5,10b-dihydro-3H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5191018
2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4170313
4-chloro-2-[2-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 4606932

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The IUPAC name of 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 5073441) is 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.
What is the SMILES notation for 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The canonical SMILES for 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is CCOc1cccc(C2C=C(c3cccc(OC)c3)NC(c3ccccc3F)N2)c1O.
What is the InChIKey of 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
The InChIKey is PZXAHYNFALYUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-15,22,25,27-29H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?
2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 420.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 5073441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).