2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine

C13H12Cl2N2 — CID 10825702

IUPAC2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C13H12Cl2N2/c1-8(2)10-11(9-6-4-3-5-7-9)16-13(15)17-12(10)14/h3-8H,1-2H3
InChIKeyFCOCUALCRMCFNK-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.57
Rot. Bonds2

About 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine

2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine (PubChem CID 10825702) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine
PubChem CID10825702
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1
InChIInChI=1S/C13H12Cl2N2/c1-8(2)10-11(9-6-4-3-5-7-9)16-13(15)17-12(10)14/h3-8H,1-2H3
InChIKeyFCOCUALCRMCFNK-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine?
The IUPAC name of 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine (CID 10825702) is 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(Cl)nc1-c1ccccc1.
What is the InChIKey of 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine?
The InChIKey is FCOCUALCRMCFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8(2)10-11(9-6-4-3-5-7-9)16-13(15)17-12(10)14/h3-8H,1-2H3.
What are the key properties of 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine?
2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine has a molecular weight of 267.16 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-phenyl-5-propan-2-ylpyrimidine is sourced from PubChem (CID 10825702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).