4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one

C12H13N3O2 — CID 168876212

IUPAC4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one
SMILESCN(C)c1ccn(-c2cccc(O)c2)c(=O)n1
InChIInChI=1S/C12H13N3O2/c1-14(2)11-6-7-15(12(17)13-11)9-4-3-5-10(16)8-9/h3-8,16H,1-2H3
InChIKeyDAWFJUWUSJEJNJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.00
Rot. Bonds2

About 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one

4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one (PubChem CID 168876212) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one
PubChem CID168876212
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one
SMILESCN(C)c1ccn(-c2cccc(O)c2)c(=O)n1
InChIInChI=1S/C12H13N3O2/c1-14(2)11-6-7-15(12(17)13-11)9-4-3-5-10(16)8-9/h3-8,16H,1-2H3
InChIKeyDAWFJUWUSJEJNJ-UHFFFAOYSA-N
XLogP1.00
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one?
The IUPAC name of 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one (CID 168876212) is 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one?
The canonical SMILES for 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one is CN(C)c1ccn(-c2cccc(O)c2)c(=O)n1.
What is the InChIKey of 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one?
The InChIKey is DAWFJUWUSJEJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14(2)11-6-7-15(12(17)13-11)9-4-3-5-10(16)8-9/h3-8,16H,1-2H3.
What are the key properties of 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one?
4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(3-hydroxyphenyl)pyrimidin-2-one is sourced from PubChem (CID 168876212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).