4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine

C15H14Cl2N2O — CID 103986039

IUPAC4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine
SMILESClc1nc(CC2CCOC2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-14-13(11-4-2-1-3-5-11)15(17)19-12(18-14)8-10-6-7-20-9-10/h1-5,10H,6-9H2
InChIKeyVMOREPHZNZJTFN-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.03
Rot. Bonds3

About 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine

4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine (PubChem CID 103986039) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine
PubChem CID103986039
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine
SMILESClc1nc(CC2CCOC2)nc(Cl)c1-c1ccccc1
InChIInChI=1S/C15H14Cl2N2O/c16-14-13(11-4-2-1-3-5-11)15(17)19-12(18-14)8-10-6-7-20-9-10/h1-5,10H,6-9H2
InChIKeyVMOREPHZNZJTFN-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine (CID 103986039) is 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine is Clc1nc(CC2CCOC2)nc(Cl)c1-c1ccccc1.
What is the InChIKey of 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine?
The InChIKey is VMOREPHZNZJTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-14-13(11-4-2-1-3-5-11)15(17)19-12(18-14)8-10-6-7-20-9-10/h1-5,10H,6-9H2.
What are the key properties of 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine?
4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine has a molecular weight of 309.20 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(oxolan-3-ylmethyl)-5-phenylpyrimidine is sourced from PubChem (CID 103986039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).