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

C17H18BrClN2 — CID 66293144

IUPAC5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
SMILESCCCc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1Br
InChIInChI=1S/C17H18BrClN2/c1-2-7-13-14(18)15(19)21-16(20-13)17(10-6-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyMRTNIMICFCUHCX-UHFFFAOYSA-N
MW365.70 g/mol
LogP5.32
Rot. Bonds4

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

5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine (PubChem CID 66293144) has the molecular formula C17H18BrClN2 and a molecular weight of 365.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
PubChem CID66293144
Molecular FormulaC17H18BrClN2
Molecular Weight365.70 g/mol
Exact Mass364.03
IUPAC Name5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine
SMILESCCCc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1Br
InChIInChI=1S/C17H18BrClN2/c1-2-7-13-14(18)15(19)21-16(20-13)17(10-6-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChIKeyMRTNIMICFCUHCX-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.70
LogP ≤ 55.32
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-(1-phenylcyclobutyl)-6-propylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine (CID 66293144) is 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine is CCCc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine?
The InChIKey is MRTNIMICFCUHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2/c1-2-7-13-14(18)15(19)21-16(20-13)17(10-6-11-17)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine?
5-bromo-4-chloro-2-(1-phenylcyclobutyl)-6-propylpyrimidine has a molecular weight of 365.70 g/mol, XLogP of 5.32, 4 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-(1-phenylcyclobutyl)-6-propylpyrimidine is sourced from PubChem (CID 66293144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).