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

C15H15ClN2O — CID 63082885

IUPAC4-chloro-2-(4-phenyloxan-4-yl)pyrimidine
SMILESClc1ccnc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H15ClN2O/c16-13-6-9-17-14(18-13)15(7-10-19-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11H2
InChIKeyUZXMUSLPIUAXHL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.23
Rot. Bonds2

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

4-chloro-2-(4-phenyloxan-4-yl)pyrimidine (PubChem CID 63082885) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-phenyloxan-4-yl)pyrimidine
PubChem CID63082885
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-chloro-2-(4-phenyloxan-4-yl)pyrimidine
SMILESClc1ccnc(C2(c3ccccc3)CCOCC2)n1
InChIInChI=1S/C15H15ClN2O/c16-13-6-9-17-14(18-13)15(7-10-19-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11H2
InChIKeyUZXMUSLPIUAXHL-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine (CID 63082885) is 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine is Clc1ccnc(C2(c3ccccc3)CCOCC2)n1.
What is the InChIKey of 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine?
The InChIKey is UZXMUSLPIUAXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-6-9-17-14(18-13)15(7-10-19-11-8-15)12-4-2-1-3-5-12/h1-6,9H,7-8,10-11H2.
What are the key properties of 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine?
4-chloro-2-(4-phenyloxan-4-yl)pyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-phenyloxan-4-yl)pyrimidine is sourced from PubChem (CID 63082885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).