4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

C11H16N4O — CID 136737823

IUPAC4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2=CCNCC2)nc[nH]1
InChIInChI=1S/C11H16N4O/c16-11-7-10(14-8-15-11)13-6-3-9-1-4-12-5-2-9/h1,7-8,12H,2-6H2,(H2,13,14,15,16)
InChIKeyBVIYPMKUABCBCD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.49
Rot. Bonds4

About 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one

4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136737823) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136737823
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC2=CCNCC2)nc[nH]1
InChIInChI=1S/C11H16N4O/c16-11-7-10(14-8-15-11)13-6-3-9-1-4-12-5-2-9/h1,7-8,12H,2-6H2,(H2,13,14,15,16)
InChIKeyBVIYPMKUABCBCD-UHFFFAOYSA-N
XLogP0.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-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 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one (CID 136737823) is 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is O=c1cc(NCCC2=CCNCC2)nc[nH]1.
What is the InChIKey of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is BVIYPMKUABCBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11-7-10(14-8-15-11)13-6-3-9-1-4-12-5-2-9/h1,7-8,12H,2-6H2,(H2,13,14,15,16).
What are the key properties of 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one?
4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136737823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).