6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione

C19H17N3O4 — CID 2373106

IUPAC6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O4/c1-21-17(20)15(18(24)22(2)19(21)25)16(23)12-8-10-14(11-9-12)26-13-6-4-3-5-7-13/h3-11H,20H2,1-2H3
InChIKeyWGFSGTIYLNGMJO-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.69
Rot. Bonds4

About 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione (PubChem CID 2373106) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione
PubChem CID2373106
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O4/c1-21-17(20)15(18(24)22(2)19(21)25)16(23)12-8-10-14(11-9-12)26-13-6-4-3-5-7-13/h3-11H,20H2,1-2H3
InChIKeyWGFSGTIYLNGMJO-UHFFFAOYSA-N
XLogP1.69
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione (CID 2373106) is 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione is Cn1c(N)c(C(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione?
The InChIKey is WGFSGTIYLNGMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-21-17(20)15(18(24)22(2)19(21)25)16(23)12-8-10-14(11-9-12)26-13-6-4-3-5-7-13/h3-11H,20H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione has a molecular weight of 351.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2373106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).