5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine

C15H16BrClN2 — CID 66294486

IUPAC5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine
SMILESCCC(CC)(c1ccccc1)c1ncc(Br)c(Cl)n1
InChIInChI=1S/C15H16BrClN2/c1-3-15(4-2,11-8-6-5-7-9-11)14-18-10-12(16)13(17)19-14/h5-10H,3-4H2,1-2H3
InChIKeyGOZSYPZIGRSYCS-UHFFFAOYSA-N
MW339.66 g/mol
LogP5.00
Rot. Bonds4

About 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine

5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine (PubChem CID 66294486) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine
PubChem CID66294486
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine
SMILESCCC(CC)(c1ccccc1)c1ncc(Br)c(Cl)n1
InChIInChI=1S/C15H16BrClN2/c1-3-15(4-2,11-8-6-5-7-9-11)14-18-10-12(16)13(17)19-14/h5-10H,3-4H2,1-2H3
InChIKeyGOZSYPZIGRSYCS-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine
CID 63081193
1-[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]propan-2-amine
CID 63082913
[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 55260810
4-(3-phenylpentan-3-yl)-6-propyl-1,3,5-triazin-2-amine
CID 63868332
N-ethyl-6-methyl-2-(3-phenylpentan-3-yl)pyrimidin-4-amine
CID 63486103
4-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63345094
4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine
CID 63867304
2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428096
2-phenyl-2-pyrazin-2-ylbutan-1-amine
CID 57088906
5-bromo-4-chloro-2-(4-ethoxyphenyl)pyrimidine
CID 66312090
5-bromo-4-chloro-2-fluoropyrimidine
CID 174338994
5-bromo-4-chloro-2-(methoxymethyl)pyrimidine
CID 66294698

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine (CID 66294486) is 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine is CCC(CC)(c1ccccc1)c1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine?
The InChIKey is GOZSYPZIGRSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-3-15(4-2,11-8-6-5-7-9-11)14-18-10-12(16)13(17)19-14/h5-10H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine?
5-bromo-4-chloro-2-(3-phenylpentan-3-yl)pyrimidine has a molecular weight of 339.66 g/mol, XLogP of 5.00, 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-(3-phenylpentan-3-yl)pyrimidine is sourced from PubChem (CID 66294486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).