azane;5-chloro-4-ethyl-6-propoxypyrimidine

C9H16ClN3O — CID 67637870

IUPACazane;5-chloro-4-ethyl-6-propoxypyrimidine
SMILESCCCOc1ncnc(CC)c1Cl.N
InChIInChI=1S/C9H13ClN2O.H3N/c1-3-5-13-9-8(10)7(4-2)11-6-12-9;/h6H,3-5H2,1-2H3;1H3
InChIKeyXDTYSXOIUGJPFZ-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.64
Rot. Bonds4

About azane;5-chloro-4-ethyl-6-propoxypyrimidine

azane;5-chloro-4-ethyl-6-propoxypyrimidine (PubChem CID 67637870) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is azane;5-chloro-4-ethyl-6-propoxypyrimidine.

Molecular Properties

Compound Nameazane;5-chloro-4-ethyl-6-propoxypyrimidine
PubChem CID67637870
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Nameazane;5-chloro-4-ethyl-6-propoxypyrimidine
SMILESCCCOc1ncnc(CC)c1Cl.N
InChIInChI=1S/C9H13ClN2O.H3N/c1-3-5-13-9-8(10)7(4-2)11-6-12-9;/h6H,3-5H2,1-2H3;1H3
InChIKeyXDTYSXOIUGJPFZ-UHFFFAOYSA-N
XLogP2.64
TPSA70.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azane;5-chloro-4-ethyl-6-propoxypyrimidine 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 azane;5-chloro-4-ethyl-6-propoxypyrimidine?
The IUPAC name of azane;5-chloro-4-ethyl-6-propoxypyrimidine (CID 67637870) is azane;5-chloro-4-ethyl-6-propoxypyrimidine.
What is the SMILES notation for azane;5-chloro-4-ethyl-6-propoxypyrimidine?
The canonical SMILES for azane;5-chloro-4-ethyl-6-propoxypyrimidine is CCCOc1ncnc(CC)c1Cl.N.
What is the InChIKey of azane;5-chloro-4-ethyl-6-propoxypyrimidine?
The InChIKey is XDTYSXOIUGJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O.H3N/c1-3-5-13-9-8(10)7(4-2)11-6-12-9;/h6H,3-5H2,1-2H3;1H3.
What are the key properties of azane;5-chloro-4-ethyl-6-propoxypyrimidine?
azane;5-chloro-4-ethyl-6-propoxypyrimidine has a molecular weight of 217.70 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-chloro-4-ethyl-6-propoxypyrimidine is sourced from PubChem (CID 67637870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).