6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione

C21H17N5O3 — CID 2374294

IUPAC6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C21H17N5O3/c1-25-19(22)17(20(28)26(2)21(25)29)18(27)13-11-16(15-9-5-6-10-23-15)24-14-8-4-3-7-12(13)14/h3-11H,22H2,1-2H3
InChIKeyCAOVHNYSCPDDJN-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.51
Rot. Bonds3

About 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione (PubChem CID 2374294) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
PubChem CID2374294
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)n(C)c1=O
InChIInChI=1S/C21H17N5O3/c1-25-19(22)17(20(28)26(2)21(25)29)18(27)13-11-16(15-9-5-6-10-23-15)24-14-8-4-3-7-12(13)14/h3-11H,22H2,1-2H3
InChIKeyCAOVHNYSCPDDJN-UHFFFAOYSA-N
XLogP1.51
TPSA112.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione (CID 2374294) is 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione is Cn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione?
The InChIKey is CAOVHNYSCPDDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-25-19(22)17(20(28)26(2)21(25)29)18(27)13-11-16(15-9-5-6-10-23-15)24-14-8-4-3-7-12(13)14/h3-11H,22H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione has a molecular weight of 387.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-(2-pyridin-2-ylquinoline-4-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2374294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).