1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol

C7H7Cl2N3O — CID 59311385

IUPAC1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2N3O/c1-2-3(13)4-5(8)11-7(10)12-6(4)9/h2-3,13H,1H2,(H2,10,11,12)
InChIKeyGKDSRDKKRGFXBH-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.59
Rot. Bonds2

About 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol

1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol (PubChem CID 59311385) has the molecular formula C7H7Cl2N3O and a molecular weight of 220.06 g/mol. Its IUPAC name is 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol
PubChem CID59311385
Molecular FormulaC7H7Cl2N3O
Molecular Weight220.06 g/mol
Exact Mass219.00
IUPAC Name1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol
SMILESC=CC(O)c1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2N3O/c1-2-3(13)4-5(8)11-7(10)12-6(4)9/h2-3,13H,1H2,(H2,10,11,12)
InChIKeyGKDSRDKKRGFXBH-UHFFFAOYSA-N
XLogP1.59
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol 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 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol (CID 59311385) is 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol is C=CC(O)c1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol?
The InChIKey is GKDSRDKKRGFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3O/c1-2-3(13)4-5(8)11-7(10)12-6(4)9/h2-3,13H,1H2,(H2,10,11,12).
What are the key properties of 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol?
1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol has a molecular weight of 220.06 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,6-dichloropyrimidin-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 59311385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).