2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine

C17H22BrClN2 — CID 66293763

IUPAC2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine
SMILESCCCc1nc(C23CC4CC(CC(C4)C2)C3)nc(Cl)c1Br
InChIInChI=1S/C17H22BrClN2/c1-2-3-13-14(18)15(19)21-16(20-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,2-9H2,1H3
InChIKeyZKPDXYKQUZBOMN-UHFFFAOYSA-N
MW369.73 g/mol
LogP5.31
Rot. Bonds3

About 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine

2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine (PubChem CID 66293763) has the molecular formula C17H22BrClN2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine.

Molecular Properties

Compound Name2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine
PubChem CID66293763
Molecular FormulaC17H22BrClN2
Molecular Weight369.73 g/mol
Exact Mass368.07
IUPAC Name2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine
SMILESCCCc1nc(C23CC4CC(CC(C4)C2)C3)nc(Cl)c1Br
InChIInChI=1S/C17H22BrClN2/c1-2-3-13-14(18)15(19)21-16(20-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,2-9H2,1H3
InChIKeyZKPDXYKQUZBOMN-UHFFFAOYSA-N
XLogP5.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612335
5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
CID 66293144
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
CID 66294584
5-bromo-4-chloro-6-propyl-2-(propylsulfanylmethyl)pyrimidine
CID 66292946
5-bromo-4-chloro-2-(oxolan-3-ylmethyl)-6-propylpyrimidine
CID 103986047
5-bromo-4-chloro-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidine
CID 66291926
5-bromo-4-chloro-6-propyl-2-thiophen-2-ylpyrimidine
CID 66292949
3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
CID 62796411
5-bromo-4-chloro-2-(3-chlorophenyl)-6-propylpyrimidine
CID 66291931
5-bromo-4-chloro-2-[(4-chlorophenyl)sulfanylmethyl]-6-propylpyrimidine
CID 66293358
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-propylpyrimidine
CID 66293966

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine?
The IUPAC name of 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine (CID 66293763) is 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine.
What is the SMILES notation for 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine?
The canonical SMILES for 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine is CCCc1nc(C23CC4CC(CC(C4)C2)C3)nc(Cl)c1Br.
What is the InChIKey of 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine?
The InChIKey is ZKPDXYKQUZBOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2/c1-2-3-13-14(18)15(19)21-16(20-13)17-7-10-4-11(8-17)6-12(5-10)9-17/h10-12H,2-9H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine?
2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine has a molecular weight of 369.73 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-bromo-4-chloro-6-propylpyrimidine is sourced from PubChem (CID 66293763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).