4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one

C11H12N4O — CID 143068559

IUPAC4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1/C=C/C1=CNCC=C1
InChIInChI=1S/C11H12N4O/c12-10-9(11(16)15-7-14-10)4-3-8-2-1-5-13-6-8/h1-4,6-7,13H,5H2,(H3,12,14,15,16)/b4-3+
InChIKeyNMVCJCCPEPNSIM-ONEGZZNKSA-N
MW216.24 g/mol
LogP0.41
Rot. Bonds2

About 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one

4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one (PubChem CID 143068559) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one
PubChem CID143068559
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one
SMILESNc1nc[nH]c(=O)c1/C=C/C1=CNCC=C1
InChIInChI=1S/C11H12N4O/c12-10-9(11(16)15-7-14-10)4-3-8-2-1-5-13-6-8/h1-4,6-7,13H,5H2,(H3,12,14,15,16)/b4-3+
InChIKeyNMVCJCCPEPNSIM-ONEGZZNKSA-N
XLogP0.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-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-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one (CID 143068559) is 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one is Nc1nc[nH]c(=O)c1/C=C/C1=CNCC=C1.
What is the InChIKey of 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one?
The InChIKey is NMVCJCCPEPNSIM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-9(11(16)15-7-14-10)4-3-8-2-1-5-13-6-8/h1-4,6-7,13H,5H2,(H3,12,14,15,16)/b4-3+.
What are the key properties of 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one?
4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(E)-2-(1,2-dihydropyridin-5-yl)ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 143068559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).