2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one

C17H15N3O2 — CID 135645510

IUPAC2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(21)20-17(19-15)18-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyLOESHWGJUKIGTM-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.19
Rot. Bonds4

About 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one

2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135645510) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135645510
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)c1
InChIInChI=1S/C17H15N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(21)20-17(19-15)18-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21)
InChIKeyLOESHWGJUKIGTM-UHFFFAOYSA-N
XLogP3.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-4-(2-methoxy-4-pyridinyl)-1H-pyrimidin-6-one
CID 170655980
2-(4-bromo-2-fluoroanilino)-4-(3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741066
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
4-(3-methoxyphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025507
4-(4-methoxyphenyl)-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 136778881
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2-(2-bromoanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136741078
2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one (CID 135645510) is 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one is COc1cccc(-c2cc(=O)[nH]c(Nc3ccccc3)n2)c1.
What is the InChIKey of 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is LOESHWGJUKIGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-14-9-5-6-12(10-14)15-11-16(21)20-17(19-15)18-13-7-3-2-4-8-13/h2-11H,1H3,(H2,18,19,20,21).
What are the key properties of 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one?
2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 293.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135645510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).