2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one

C25H22FN3O2 — CID 68836321

IUPAC2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C25H22FN3O2/c1-2-29-24(30)21(16-27-25(29)28-20-11-7-4-8-12-20)19-13-14-23(22(26)15-19)31-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3,(H,27,28)
InChIKeyOZGGWWOXTWCGIB-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.39
Rot. Bonds7

About 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one

2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one (PubChem CID 68836321) has the molecular formula C25H22FN3O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
PubChem CID68836321
Molecular FormulaC25H22FN3O2
Molecular Weight415.47 g/mol
Exact Mass415.17
IUPAC Name2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
SMILESCCn1c(Nc2ccccc2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O
InChIInChI=1S/C25H22FN3O2/c1-2-29-24(30)21(16-27-25(29)28-20-11-7-4-8-12-20)19-13-14-23(22(26)15-19)31-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3,(H,27,28)
InChIKeyOZGGWWOXTWCGIB-UHFFFAOYSA-N
XLogP5.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-anilino-3-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyridin-2-one
CID 68867289
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68837803
5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68840984
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
5-(3-fluoro-4-phenylmethoxyphenyl)-1H-pyridin-2-one
CID 122200240
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The IUPAC name of 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one (CID 68836321) is 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one.
What is the SMILES notation for 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The canonical SMILES for 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one is CCn1c(Nc2ccccc2)ncc(-c2ccc(OCc3ccccc3)c(F)c2)c1=O.
What is the InChIKey of 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
The InChIKey is OZGGWWOXTWCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O2/c1-2-29-24(30)21(16-27-25(29)28-20-11-7-4-8-12-20)19-13-14-23(22(26)15-19)31-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3,(H,27,28).
What are the key properties of 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one?
2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one has a molecular weight of 415.47 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-ethyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one is sourced from PubChem (CID 68836321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).