2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

C14H19N5O2 — CID 68901987

IUPAC2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCCN3CCOCC3)nc2[nH]1
InChIInChI=1S/C14H19N5O2/c20-12-3-2-11-10-16-14(18-13(11)17-12)15-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H2,15,16,17,18,20)
InChIKeyMIXJCTLAEYJRRK-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.45
Rot. Bonds5

About 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one

2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 68901987) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID68901987
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NCCCN3CCOCC3)nc2[nH]1
InChIInChI=1S/C14H19N5O2/c20-12-3-2-11-10-16-14(18-13(11)17-12)15-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H2,15,16,17,18,20)
InChIKeyMIXJCTLAEYJRRK-UHFFFAOYSA-N
XLogP0.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[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-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one (CID 68901987) is 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NCCCN3CCOCC3)nc2[nH]1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MIXJCTLAEYJRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-12-3-2-11-10-16-14(18-13(11)17-12)15-4-1-5-19-6-8-21-9-7-19/h2-3,10H,1,4-9H2,(H2,15,16,17,18,20).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one?
2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 289.34 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68901987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).