2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C17H19N5O — CID 5330217

IUPAC2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N(C)C)cc3)nc21
InChIInChI=1S/C17H19N5O/c1-4-22-15(23)10-5-12-11-18-17(20-16(12)22)19-13-6-8-14(9-7-13)21(2)3/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyDCPZNPCJNAXVMT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5330217) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5330217
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(N(C)C)cc3)nc21
InChIInChI=1S/C17H19N5O/c1-4-22-15(23)10-5-12-11-18-17(20-16(12)22)19-13-6-8-14(9-7-13)21(2)3/h5-11H,4H2,1-3H3,(H,18,19,20)
InChIKeyDCPZNPCJNAXVMT-UHFFFAOYSA-N
XLogP2.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one 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 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5330217) is 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)ccc2cnc(Nc3ccc(N(C)C)cc3)nc21.
What is the InChIKey of 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DCPZNPCJNAXVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-22-15(23)10-5-12-11-18-17(20-16(12)22)19-13-6-8-14(9-7-13)21(2)3/h5-11H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 309.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5330217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).