4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine

C15H13Cl3N2O — CID 79434236

IUPAC4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine
SMILESClc1ccccc1-c1c(Cl)nc(C2CCCOC2)nc1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-11-6-2-1-5-10(11)12-13(17)19-15(20-14(12)18)9-4-3-7-21-8-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyGHUXFSHCNFJQDZ-UHFFFAOYSA-N
MW343.64 g/mol
LogP5.00
Rot. Bonds2

About 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine

4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine (PubChem CID 79434236) has the molecular formula C15H13Cl3N2O and a molecular weight of 343.64 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine
PubChem CID79434236
Molecular FormulaC15H13Cl3N2O
Molecular Weight343.64 g/mol
Exact Mass342.01
IUPAC Name4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine
SMILESClc1ccccc1-c1c(Cl)nc(C2CCCOC2)nc1Cl
InChIInChI=1S/C15H13Cl3N2O/c16-11-6-2-1-5-10(11)12-13(17)19-15(20-14(12)18)9-4-3-7-21-8-9/h1-2,5-6,9H,3-4,7-8H2
InChIKeyGHUXFSHCNFJQDZ-UHFFFAOYSA-N
XLogP5.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.64
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine (CID 79434236) is 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine is Clc1ccccc1-c1c(Cl)nc(C2CCCOC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine?
The InChIKey is GHUXFSHCNFJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N2O/c16-11-6-2-1-5-10(11)12-13(17)19-15(20-14(12)18)9-4-3-7-21-8-9/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine?
4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine has a molecular weight of 343.64 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chlorophenyl)-2-(oxan-3-yl)pyrimidine is sourced from PubChem (CID 79434236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).