5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one

C18H17N3O2 — CID 70497484

IUPAC5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cnc(N(C)c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(14-6-4-3-5-7-14)18-19-12-16(17(22)20-18)13-8-10-15(23-2)11-9-13/h3-12H,1-2H3,(H,19,20,22)
InChIKeyDYLKBHFLLZNTQI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.21
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one

5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one (PubChem CID 70497484) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one
PubChem CID70497484
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2cnc(N(C)c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C18H17N3O2/c1-21(14-6-4-3-5-7-14)18-19-12-16(17(22)20-18)13-8-10-15(23-2)11-9-13/h3-12H,1-2H3,(H,19,20,22)
InChIKeyDYLKBHFLLZNTQI-UHFFFAOYSA-N
XLogP3.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one (CID 70497484) is 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one is COc1ccc(-c2cnc(N(C)c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is DYLKBHFLLZNTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21(14-6-4-3-5-7-14)18-19-12-16(17(22)20-18)13-8-10-15(23-2)11-9-13/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one?
5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 307.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-(N-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 70497484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).