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

C14H14Cl2N2 — CID 10826651

IUPAC4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C14H14Cl2N2/c1-9(2)12-11(17-14(16)18-13(12)15)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKBKWKEJTNBNTEQ-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.50
Rot. Bonds3

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

4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine (PubChem CID 10826651) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine
PubChem CID10826651
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)nc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C14H14Cl2N2/c1-9(2)12-11(17-14(16)18-13(12)15)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyKBKWKEJTNBNTEQ-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine?
The IUPAC name of 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine (CID 10826651) is 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)nc(Cl)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine?
The InChIKey is KBKWKEJTNBNTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-9(2)12-11(17-14(16)18-13(12)15)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine?
4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine has a molecular weight of 281.19 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,6-dichloro-5-propan-2-ylpyrimidine is sourced from PubChem (CID 10826651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).