4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one

C18H14F3N3O2 — CID 136741173

IUPAC4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-8-2-11(3-9-14)15-10-16(25)24-17(23-15)22-13-6-4-12(5-7-13)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyWWRCPUPOGZJUAB-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.21
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one

4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one (PubChem CID 136741173) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
PubChem CID136741173
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H14F3N3O2/c1-26-14-8-2-11(3-9-14)15-10-16(25)24-17(23-15)22-13-6-4-12(5-7-13)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyWWRCPUPOGZJUAB-UHFFFAOYSA-N
XLogP4.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
2-(methoxymethyl)-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691964
4-ethyl-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136779267
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645510
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
N-[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]nitramide
CID 136740741
4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
2-propyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136691960
2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 136741276
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one (CID 136741173) is 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one is COc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
The InChIKey is WWRCPUPOGZJUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-26-14-8-2-11(3-9-14)15-10-16(25)24-17(23-15)22-13-6-4-12(5-7-13)18(19,20)21/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one?
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one has a molecular weight of 361.32 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136741173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).