5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine

C17H14BrClN2 — CID 66293425

IUPAC5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cccc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C17H14BrClN2/c1-10(2)15-14(18)16(19)21-17(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyGLSWTFSOGMLDSI-UHFFFAOYSA-N
MW361.67 g/mol
LogP5.84
Rot. Bonds2

About 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine (PubChem CID 66293425) has the molecular formula C17H14BrClN2 and a molecular weight of 361.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
PubChem CID66293425
Molecular FormulaC17H14BrClN2
Molecular Weight361.67 g/mol
Exact Mass360.00
IUPAC Name5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cccc3ccccc23)nc(Cl)c1Br
InChIInChI=1S/C17H14BrClN2/c1-10(2)15-14(18)16(19)21-17(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3
InChIKeyGLSWTFSOGMLDSI-UHFFFAOYSA-N
XLogP5.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.67
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine (CID 66293425) is 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine is CC(C)c1nc(-c2cccc3ccccc23)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine?
The InChIKey is GLSWTFSOGMLDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2/c1-10(2)15-14(18)16(19)21-17(20-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine has a molecular weight of 361.67 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-naphthalen-1-yl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66293425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).