4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine

C17H19ClN2O — CID 63082884

IUPAC4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
SMILESCCc1cc(Cl)nc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C17H19ClN2O/c1-2-14-12-15(18)20-16(19-14)17(8-10-21-11-9-17)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyMGQKHJIDONTXLD-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.79
Rot. Bonds3

About 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine

4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine (PubChem CID 63082884) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
PubChem CID63082884
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
SMILESCCc1cc(Cl)nc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C17H19ClN2O/c1-2-14-12-15(18)20-16(19-14)17(8-10-21-11-9-17)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyMGQKHJIDONTXLD-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine 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-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine (CID 63082884) is 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine is CCc1cc(Cl)nc(C2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine?
The InChIKey is MGQKHJIDONTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-2-14-12-15(18)20-16(19-14)17(8-10-21-11-9-17)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine?
4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine is sourced from PubChem (CID 63082884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).